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165035-65-4 molecular structure
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(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine

ChemBase ID: 177494
Molecular Formular: C9H10N2O
Molecular Mass: 162.1885
Monoisotopic Mass: 162.07931295
SMILES and InChIs

SMILES:
C1OC(=N[C@H]1c1ccccc1)N
Canonical SMILES:
NC1=N[C@H](CO1)c1ccccc1
InChI:
InChI=1S/C9H10N2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)/t8-/m1/s1
InChIKey:
ZBFPLELNWIASCT-MRVPVSSYSA-N

Cite this record

CBID:177494 http://www.chembase.cn/molecule-177494.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine
IUPAC Traditional name
(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-amine
Synonyms
(4S)-4,5-Dihydro-4-phenyl-2-oxazolamine
(S)-4,5-Dihydro-4-phenyl-2-oxazolamine
(S)-Rexamino
CAS Number
165035-65-4
PubChem SID
164233404
PubChem CID
11116360

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC R314515 external link Add to cart
PubChem 11116360 external link
Data Source Data ID Price
TRC
R314515 external link Add to cart Please log in.
Data Source Data ID
PubChem 11116360 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.22158916  LogD (pH = 7.4) 1.375715 
Log P 1.4621556  Molar Refractivity 45.7481 cm3
Polarizability 17.671967 Å3 Polar Surface Area 47.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - R314515 external link
The (S)-metabolite of Levamisole (L331100).

REFERENCES

REFERENCES

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  • • Poos, G., et al.: J. Med. Chem., 6, 266 (1963)
  • • Watson, A., et al.: Res. Vet. Sci., 45, 411 (1963)
  • • Russell, B., et al.: Pharmacol. Biochem. Behav., 51, 375 (1963)
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PATENTS

PATENTS

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INTERNET

INTERNET

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