(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide

C15H13N3O3 — CID 104897322

IUPAC(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
SMILESN[C@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C15H13N3O3/c16-13(9-4-2-1-3-5-9)14(19)17-10-6-7-12-11(8-10)18-15(20)21-12/h1-8,13H,16H2,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyVPJOMCLMHSWDPC-ZDUSSCGKSA-N
MW283.29 g/mol
LogP1.76
Rot. Bonds3

About (2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide

(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide (PubChem CID 104897322) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
PubChem CID104897322
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
SMILESN[C@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C15H13N3O3/c16-13(9-4-2-1-3-5-9)14(19)17-10-6-7-12-11(8-10)18-15(20)21-12/h1-8,13H,16H2,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyVPJOMCLMHSWDPC-ZDUSSCGKSA-N
XLogP1.76
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
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CID 78972326
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
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4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
(2S)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 95307128
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
CID 134019701
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115180967
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 134019800
2-amino-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115179135
2-(hydroxymethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 115186381

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide (CID 104897322) is (2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide is N[C@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide?
The InChIKey is VPJOMCLMHSWDPC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-13(9-4-2-1-3-5-9)14(19)17-10-6-7-12-11(8-10)18-15(20)21-12/h1-8,13H,16H2,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide?
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide has a molecular weight of 283.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 104897322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).