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1060816-25-2 molecular structure
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5-tert-butyl-2-chloro-1,3-oxazole

ChemBase ID: 813739
Molecular Formular: C7H10ClNO
Molecular Mass: 159.6134
Monoisotopic Mass: 159.04509163
SMILES and InChIs

SMILES:
o1c(ncc1C(C)(C)C)Cl
Canonical SMILES:
CC(c1cnc(o1)Cl)(C)C
InChI:
InChI=1S/C7H10ClNO/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3
InChIKey:
BPAHMQKXCJCJRN-UHFFFAOYSA-N

Cite this record

CBID:813739 http://www.chembase.cn/molecule-813739.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-tert-butyl-2-chloro-1,3-oxazole
IUPAC Traditional name
5-tert-butyl-2-chloro-1,3-oxazole
Synonyms
5-tert-butyl-2-chlorooxazole
CAS Number
1060816-25-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35820 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35820 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2942088  LogD (pH = 7.4) 2.294209 
Log P 2.294209  Molar Refractivity 40.3367 cm3
Polarizability 15.649948 Å3 Polar Surface Area 26.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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