3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid

C12H11NO4 — CID 82362326

IUPAC3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCOc1cccc(-c2noc(C(=O)O)c2C)c1
InChIInChI=1S/C12H11NO4/c1-7-10(13-17-11(7)12(14)15)8-4-3-5-9(6-8)16-2/h3-6H,1-2H3,(H,14,15)
InChIKeyKAFUWGXAYGEUFN-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.36
Rot. Bonds3

About 3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid

3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid (PubChem CID 82362326) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
PubChem CID82362326
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCOc1cccc(-c2noc(C(=O)O)c2C)c1
InChIInChI=1S/C12H11NO4/c1-7-10(13-17-11(7)12(14)15)8-4-3-5-9(6-8)16-2/h3-6H,1-2H3,(H,14,15)
InChIKeyKAFUWGXAYGEUFN-UHFFFAOYSA-N
XLogP2.36
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid
CID 82362316
bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 174684949
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 102158832
3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
CID 176508636
3-(5-methoxy-1,2-benzoxazol-3-yl)benzoic acid
CID 59828587
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802083
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 53229205

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid (CID 82362326) is 3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid is COc1cccc(-c2noc(C(=O)O)c2C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is KAFUWGXAYGEUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7-10(13-17-11(7)12(14)15)8-4-3-5-9(6-8)16-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of 3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid?
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82362326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).