(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid

C14H14N2O4 — CID 28778678

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
SMILESCc1noc(C)c1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H14N2O4/c1-8-11(9(2)20-16-8)13(17)15-12(14(18)19)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyYGJTUDZZWCIFOU-LBPRGKRZSA-N
MW274.28 g/mol
LogP1.85
Rot. Bonds4

About (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid (PubChem CID 28778678) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
PubChem CID28778678
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
SMILESCc1noc(C)c1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H14N2O4/c1-8-11(9(2)20-16-8)13(17)15-12(14(18)19)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyYGJTUDZZWCIFOU-LBPRGKRZSA-N
XLogP1.85
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 75461414
(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107314790
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
3,5-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,2-oxazole-4-carboxamide
CID 75459863
(2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
CID 103804634
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
CID 66335537
N-(2-methoxy-2-phenylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 47187692
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 3632907
(2S)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]-2-phenylacetic acid
CID 119372302
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid (CID 28778678) is (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid is Cc1noc(C)c1C(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is YGJTUDZZWCIFOU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-11(9(2)20-16-8)13(17)15-12(14(18)19)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H,15,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 28778678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).