(5S)-2-amino-5-phenyl-1,3-oxazol-4-one

C9H8N2O2 — CID 906180

IUPAC(5S)-2-amino-5-phenyl-1,3-oxazol-4-one
SMILESNC1=NC(=O)[C@H](c2ccccc2)O1
InChIInChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)/t7-/m0/s1
InChIKeyNRNCYVBFPDDJNE-ZETCQYMHSA-N
MW176.17 g/mol
LogP0.60
Rot. Bonds1

About (5S)-2-amino-5-phenyl-1,3-oxazol-4-one

(5S)-2-amino-5-phenyl-1,3-oxazol-4-one (PubChem CID 906180) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is (5S)-2-amino-5-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5S)-2-amino-5-phenyl-1,3-oxazol-4-one
PubChem CID906180
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name(5S)-2-amino-5-phenyl-1,3-oxazol-4-one
SMILESNC1=NC(=O)[C@H](c2ccccc2)O1
InChIInChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)/t7-/m0/s1
InChIKeyNRNCYVBFPDDJNE-ZETCQYMHSA-N
XLogP0.60
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 135438121
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CID 12602
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CID 84042
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CID 135400197
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CID 137628477
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CID 137321692
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CID 139592877
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CID 118014
CID 118014
CID 121407
CID 121407

Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5-phenyl-1,3-oxazol-4-one?
The IUPAC name of (5S)-2-amino-5-phenyl-1,3-oxazol-4-one (CID 906180) is (5S)-2-amino-5-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for (5S)-2-amino-5-phenyl-1,3-oxazol-4-one?
The canonical SMILES for (5S)-2-amino-5-phenyl-1,3-oxazol-4-one is NC1=NC(=O)[C@H](c2ccccc2)O1.
What is the InChIKey of (5S)-2-amino-5-phenyl-1,3-oxazol-4-one?
The InChIKey is NRNCYVBFPDDJNE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)/t7-/m0/s1.
What are the key properties of (5S)-2-amino-5-phenyl-1,3-oxazol-4-one?
(5S)-2-amino-5-phenyl-1,3-oxazol-4-one has a molecular weight of 176.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5-phenyl-1,3-oxazol-4-one is sourced from PubChem (CID 906180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).