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

C11H8ClNO4 — CID 82298585

IUPAC5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2oncc2C(=O)O)cc1Cl
InChIInChI=1S/C11H8ClNO4/c1-16-9-3-2-6(4-8(9)12)10-7(11(14)15)5-13-17-10/h2-5H,1H3,(H,14,15)
InChIKeyXRABRZLHNATNFO-UHFFFAOYSA-N
MW253.64 g/mol
LogP2.70
Rot. Bonds3

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

5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 82298585) has the molecular formula C11H8ClNO4 and a molecular weight of 253.64 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID82298585
Molecular FormulaC11H8ClNO4
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2oncc2C(=O)O)cc1Cl
InChIInChI=1S/C11H8ClNO4/c1-16-9-3-2-6(4-8(9)12)10-7(11(14)15)5-13-17-10/h2-5H,1H3,(H,14,15)
InChIKeyXRABRZLHNATNFO-UHFFFAOYSA-N
XLogP2.70
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82295690
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82308210
5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82291793
2-bromo-5-(3-chloro-4-methoxyphenyl)benzoic acid
CID 114026544
4-(3-chloro-4-methoxyphenyl)-2-nitrobenzoic acid
CID 53227527
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
5-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxylic acid
CID 114317835
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134188
5-[(2-chloro-4-methylphenoxy)methyl]-1,2-oxazole-4-carboxylic acid
CID 112753413

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 82298585) is 5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is COc1ccc(-c2oncc2C(=O)O)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is XRABRZLHNATNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4/c1-16-9-3-2-6(4-8(9)12)10-7(11(14)15)5-13-17-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 253.64 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82298585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).