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

C11H9NO3 — CID 170993673

IUPAC2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
SMILESCc1ccc(-c2ncco2)cc1C(=O)O
InChIInChI=1S/C11H9NO3/c1-7-2-3-8(6-9(7)11(13)14)10-12-4-5-15-10/h2-6H,1H3,(H,13,14)
InChIKeyYXELNEWUCRSDQK-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

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

2-methyl-5-(1,3-oxazol-2-yl)benzoic acid (PubChem CID 170993673) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-methyl-5-(1,3-oxazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
PubChem CID170993673
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
SMILESCc1ccc(-c2ncco2)cc1C(=O)O
InChIInChI=1S/C11H9NO3/c1-7-2-3-8(6-9(7)11(13)14)10-12-4-5-15-10/h2-6H,1H3,(H,13,14)
InChIKeyYXELNEWUCRSDQK-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3-oxazol-2-yl)benzoic acid?
The IUPAC name of 2-methyl-5-(1,3-oxazol-2-yl)benzoic acid (CID 170993673) is 2-methyl-5-(1,3-oxazol-2-yl)benzoic acid.
What is the SMILES notation for 2-methyl-5-(1,3-oxazol-2-yl)benzoic acid?
The canonical SMILES for 2-methyl-5-(1,3-oxazol-2-yl)benzoic acid is Cc1ccc(-c2ncco2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(1,3-oxazol-2-yl)benzoic acid?
The InChIKey is YXELNEWUCRSDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-2-3-8(6-9(7)11(13)14)10-12-4-5-15-10/h2-6H,1H3,(H,13,14).
What are the key properties of 2-methyl-5-(1,3-oxazol-2-yl)benzoic acid?
2-methyl-5-(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 2-methyl-5-(1,3-oxazol-2-yl)benzoic acid is sourced from PubChem (CID 170993673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).