2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid

C13H12N2O4 — CID 110835169

IUPAC2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid
SMILESCc1cnc(C(=O)NC(C(=O)O)c2ccccc2)o1
InChIInChI=1S/C13H12N2O4/c1-8-7-14-12(19-8)11(16)15-10(13(17)18)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,15,16)(H,17,18)
InChIKeyGJWDORKWIXIVPF-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.54
Rot. Bonds4

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

2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 110835169) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID110835169
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid
SMILESCc1cnc(C(=O)NC(C(=O)O)c2ccccc2)o1
InChIInChI=1S/C13H12N2O4/c1-8-7-14-12(19-8)11(16)15-10(13(17)18)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,15,16)(H,17,18)
InChIKeyGJWDORKWIXIVPF-UHFFFAOYSA-N
XLogP1.54
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 106373563
(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
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 103804582
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
CID 28778678
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93310081
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid (CID 110835169) is 2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid is Cc1cnc(C(=O)NC(C(=O)O)c2ccccc2)o1.
What is the InChIKey of 2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is GJWDORKWIXIVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-7-14-12(19-8)11(16)15-10(13(17)18)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid?
2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 260.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazole-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 110835169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).