2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid

C13H12N2O4 — CID 66335090

IUPAC2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid
SMILESCc1cnoc1C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H12N2O4/c1-8-7-14-19-12(8)13(18)15-10-5-3-2-4-9(10)6-11(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyRJIWQYLCITXNIH-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.86
Rot. Bonds4

About 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid

2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid (PubChem CID 66335090) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid
PubChem CID66335090
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid
SMILESCc1cnoc1C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H12N2O4/c1-8-7-14-19-12(8)13(18)15-10-5-3-2-4-9(10)6-11(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyRJIWQYLCITXNIH-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66335854
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335883
N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334349
2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
CID 62534196
N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850891
3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336599
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103098068
3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 81288540
(2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
CID 103804634
N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114309588

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid (CID 66335090) is 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid is Cc1cnoc1C(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid?
The InChIKey is RJIWQYLCITXNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-7-14-19-12(8)13(18)15-10-5-3-2-4-9(10)6-11(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid?
2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 66335090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).