3-methyl-2-(1,3-oxazol-2-yl)benzoic acid

C11H9NO3 — CID 90411827

IUPAC3-methyl-2-(1,3-oxazol-2-yl)benzoic acid
SMILESCc1cccc(C(=O)O)c1-c1ncco1
InChIInChI=1S/C11H9NO3/c1-7-3-2-4-8(11(13)14)9(7)10-12-5-6-15-10/h2-6H,1H3,(H,13,14)
InChIKeyYBONQXVGGKRCCL-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

About 3-methyl-2-(1,3-oxazol-2-yl)benzoic acid

3-methyl-2-(1,3-oxazol-2-yl)benzoic acid (PubChem CID 90411827) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-methyl-2-(1,3-oxazol-2-yl)benzoic acid.

Molecular Properties

Compound Name3-methyl-2-(1,3-oxazol-2-yl)benzoic acid
PubChem CID90411827
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-methyl-2-(1,3-oxazol-2-yl)benzoic acid
SMILESCc1cccc(C(=O)O)c1-c1ncco1
InChIInChI=1S/C11H9NO3/c1-7-3-2-4-8(11(13)14)9(7)10-12-5-6-15-10/h2-6H,1H3,(H,13,14)
InChIKeyYBONQXVGGKRCCL-UHFFFAOYSA-N
XLogP2.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
[(1S,2R,4R)-2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-methyl-2-(1,3-oxazol-2-yl)phenyl]methanone
CID 90412522
[2-[(5-bromo-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-methyl-2-(1,3-oxazol-2-yl)phenyl]methanone
CID 90445375
2-[2-(1,3-oxazol-2-yl)phenyl]-2-oxoacetic acid
CID 117308845
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid
CID 126650403
4-methylquinoline-8-carboxylic acid
CID 12597844
2-amino-3-methylbenzoic acid;azane
CID 69400013
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
3-amino-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106924122
2-amino-3-(2,6-dimethylphenyl)benzoic acid
CID 70207656

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,3-oxazol-2-yl)benzoic acid?
The IUPAC name of 3-methyl-2-(1,3-oxazol-2-yl)benzoic acid (CID 90411827) is 3-methyl-2-(1,3-oxazol-2-yl)benzoic acid.
What is the SMILES notation for 3-methyl-2-(1,3-oxazol-2-yl)benzoic acid?
The canonical SMILES for 3-methyl-2-(1,3-oxazol-2-yl)benzoic acid is Cc1cccc(C(=O)O)c1-c1ncco1.
What is the InChIKey of 3-methyl-2-(1,3-oxazol-2-yl)benzoic acid?
The InChIKey is YBONQXVGGKRCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-3-2-4-8(11(13)14)9(7)10-12-5-6-15-10/h2-6H,1H3,(H,13,14).
What are the key properties of 3-methyl-2-(1,3-oxazol-2-yl)benzoic acid?
3-methyl-2-(1,3-oxazol-2-yl)benzoic acid has a molecular weight of 203.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,3-oxazol-2-yl)benzoic acid is sourced from PubChem (CID 90411827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).