2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid

C18H14N2O4 — CID 652609

IUPAC2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid
SMILESCc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)no1
InChIInChI=1S/C18H14N2O4/c1-11-10-16(20-24-11)19-17(21)14-8-4-2-6-12(14)13-7-3-5-9-15(13)18(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
InChIKeyBBOOFYWCKJHZMN-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.60
Rot. Bonds4

About 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid

2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid (PubChem CID 652609) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid
PubChem CID652609
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid
SMILESCc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)no1
InChIInChI=1S/C18H14N2O4/c1-11-10-16(20-24-11)19-17(21)14-8-4-2-6-12(14)13-7-3-5-9-15(13)18(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
InChIKeyBBOOFYWCKJHZMN-UHFFFAOYSA-N
XLogP3.60
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Soretolide
CID 198730
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
3-{[(3-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}phenyl)sulfonyl]amino}benzoic acid
CID 992296
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)isobutyramide
CID 10158463
N-(5-methyl-1,2-oxazol-3-yl)-[1,1'-biphenyl]-4-carboxamide
CID 670727
5-[2-(4-Fluorophenyl)-6-[[5-[(4-fluorophenyl)methyl]-1,2-oxazol-3-yl]carbamoyl]-1-oxoisoquinolin-3-yl]pentanoic acid
CID 145971410
3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670706
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2116546
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)acetamide
CID 6467909
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)hexanamide
CID 10138012
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)-3-phenylpropanamide
CID 10140171
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)acetamide
CID 10271223

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid (CID 652609) is 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid is Cc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)no1.
What is the InChIKey of 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid?
The InChIKey is BBOOFYWCKJHZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-11-10-16(20-24-11)19-17(21)14-8-4-2-6-12(14)13-7-3-5-9-15(13)18(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid?
2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid has a molecular weight of 322.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 652609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).