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

C11H8ClNO4 — CID 117386909

IUPAC5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(Cl)ccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C11H8ClNO4/c1-16-9-4-6(12)2-3-7(9)10-5-8(11(14)15)13-17-10/h2-5H,1H3,(H,14,15)
InChIKeySLAKKVLECWXVSW-UHFFFAOYSA-N
MW253.64 g/mol
LogP2.70
Rot. Bonds3

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

5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117386909) has the molecular formula C11H8ClNO4 and a molecular weight of 253.64 g/mol. Its IUPAC name is 5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117386909
Molecular FormulaC11H8ClNO4
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(Cl)ccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C11H8ClNO4/c1-16-9-4-6(12)2-3-7(9)10-5-8(11(14)15)13-17-10/h2-5H,1H3,(H,14,15)
InChIKeySLAKKVLECWXVSW-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-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
5-(2-chloro-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422559
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(7-methoxy-1-benzothiophen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117439956
5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117380434

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117386909) is 5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1cc(Cl)ccc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is SLAKKVLECWXVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4/c1-16-9-4-6(12)2-3-7(9)10-5-8(11(14)15)13-17-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-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-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117386909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).