(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid

C15H16N2O4 — CID 119238230

IUPAC(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9(15(19)20)16-13(18)8-12-10(2)21-14(17-12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,16,18)(H,19,20)/t9-/m0/s1
InChIKeyGOHPWMJGNZSZMD-VIFPVBQESA-N
MW288.30 g/mol
LogP1.78
Rot. Bonds5

About (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid

(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 119238230) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
PubChem CID119238230
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9(15(19)20)16-13(18)8-12-10(2)21-14(17-12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,16,18)(H,19,20)/t9-/m0/s1
InChIKeyGOHPWMJGNZSZMD-VIFPVBQESA-N
XLogP1.78
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
(2R)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylacetamide
CID 94614527
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51336962
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
N-(4-hydroxy-2-methylpentyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111447499
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-N-(1-phenylethyl)acetamide
CID 110371879
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
N'-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N'-phenylacetohydrazide
CID 51112549
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119598949
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid (CID 119238230) is (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid is Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is GOHPWMJGNZSZMD-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(15(19)20)16-13(18)8-12-10(2)21-14(17-12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,16,18)(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119238230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).