2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid

C12H11NO3 — CID 15354514

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
SMILESCc1noc(C)c1-c1ccccc1C(=O)O
InChIInChI=1S/C12H11NO3/c1-7-11(8(2)16-13-7)9-5-3-4-6-10(9)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyOBAZZAWOVMNELB-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.66
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid

2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid (PubChem CID 15354514) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
PubChem CID15354514
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
SMILESCc1noc(C)c1-c1ccccc1C(=O)O
InChIInChI=1S/C12H11NO3/c1-7-11(8(2)16-13-7)9-5-3-4-6-10(9)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyOBAZZAWOVMNELB-UHFFFAOYSA-N
XLogP2.66
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid
CID 53222591
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)benzoic acid
CID 46398466
2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-4-carboxylic acid
CID 53222598
4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 91804006
2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 66976761
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid
CID 138393314
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid
CID 11610260
2-(2-carboxyphenyl)-3,4-dimethylbenzoic acid
CID 18692681
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid (CID 15354514) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid is Cc1noc(C)c1-c1ccccc1C(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid?
The InChIKey is OBAZZAWOVMNELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-11(8(2)16-13-7)9-5-3-4-6-10(9)12(14)15/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid?
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid has a molecular weight of 217.22 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid is sourced from PubChem (CID 15354514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).