2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid

C15H16N2O4 — CID 119255310

IUPAC2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2cc(C(C)C)no2)cc1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-8(2)12-7-13(21-17-12)14(18)16-10-5-4-9(3)11(6-10)15(19)20/h4-8H,1-3H3,(H,16,18)(H,19,20)
InChIKeyCMWPKQMZLXTXPR-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.06
Rot. Bonds4

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

2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid (PubChem CID 119255310) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid
PubChem CID119255310
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2cc(C(C)C)no2)cc1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-8(2)12-7-13(21-17-12)14(18)16-10-5-4-9(3)11(6-10)15(19)20/h4-8H,1-3H3,(H,16,18)(H,19,20)
InChIKeyCMWPKQMZLXTXPR-UHFFFAOYSA-N
XLogP3.06
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 131933449
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053
2-methyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonylamino)benzoic acid
CID 120528927
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
5-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513291

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid (CID 119255310) is 2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid is Cc1ccc(NC(=O)c2cc(C(C)C)no2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The InChIKey is CMWPKQMZLXTXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8(2)12-7-13(21-17-12)14(18)16-10-5-4-9(3)11(6-10)15(19)20/h4-8H,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 119255310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).