2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid

C13H12N2O4 — CID 81456260

IUPAC2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
SMILESCc1ncoc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C13H12N2O4/c1-8-12(19-7-14-8)13(18)15-10-4-2-3-9(5-10)6-11(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyJIFVFNRBOPOXRT-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.86
Rot. Bonds4

About 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid

2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid (PubChem CID 81456260) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
PubChem CID81456260
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
SMILESCc1ncoc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C13H12N2O4/c1-8-12(19-7-14-8)13(18)15-10-4-2-3-9(5-10)6-11(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyJIFVFNRBOPOXRT-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

2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
4-methyl-N-(3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79487576
methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
CID 79489953
2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 119352015
2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 65345706
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
2-bromo-5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 113281025
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid (CID 81456260) is 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid is Cc1ncoc1C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid?
The InChIKey is JIFVFNRBOPOXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-12(19-7-14-8)13(18)15-10-4-2-3-9(5-10)6-11(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid?
2-[3-[(4-methyl-1,3-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-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 81456260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).