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74718-16-4 molecular structure
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4-(5-phenyl-1,3-oxazol-2-yl)pyridine

ChemBase ID: 158576
Molecular Formular: C14H10N2O
Molecular Mass: 222.242
Monoisotopic Mass: 222.07931295
SMILES and InChIs

SMILES:
c1ccc(cc1)c1cnc(o1)c1ccncc1
Canonical SMILES:
c1ccc(cc1)c1cnc(o1)c1ccncc1
InChI:
InChI=1S/C14H10N2O/c1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12/h1-10H
InChIKey:
HGEXVTDKVHLPRZ-UHFFFAOYSA-N

Cite this record

CBID:158576 http://www.chembase.cn/molecule-158576.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(5-phenyl-1,3-oxazol-2-yl)pyridine
IUPAC Traditional name
4-(5-phenyl-1,3-oxazol-2-yl)pyridine
Synonyms
4-PyPo
5-Phenyl-2-(4-pyridyl)oxazole
5-苯基-2-(4-吡啶)噁唑
CAS Number
74718-16-4
MDL Number
MFCD00009784
PubChem SID
24853722
162252712
PubChem CID
156519

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
229032 external link Add to cart Please log in.
Data Source Data ID
PubChem 156519 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.288343  LogD (pH = 7.4) 2.2894473 
Log P 2.2894616  Molar Refractivity 74.7258 cm3
Polarizability 26.712587 Å3 Polar Surface Area 38.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
100-102 °C(lit.) expand Show data source
Absorption Wavelength
λmax 321 nm expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C14H10N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 229032 external link
Application
Laser dye

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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