3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid

C11H7ClFNO4 — CID 117431788

IUPAC3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(Cl)c(-c2cc(C(=O)O)on2)c1F
InChIInChI=1S/C11H7ClFNO4/c1-17-7-3-2-5(12)9(10(7)13)6-4-8(11(15)16)18-14-6/h2-4H,1H3,(H,15,16)
InChIKeyJLIBSXMMISYVHA-UHFFFAOYSA-N
MW271.63 g/mol
LogP2.84
Rot. Bonds3

About 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid

3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117431788) has the molecular formula C11H7ClFNO4 and a molecular weight of 271.63 g/mol. Its IUPAC name is 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117431788
Molecular FormulaC11H7ClFNO4
Molecular Weight271.63 g/mol
Exact Mass271.00
IUPAC Name3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(Cl)c(-c2cc(C(=O)O)on2)c1F
InChIInChI=1S/C11H7ClFNO4/c1-17-7-3-2-5(12)9(10(7)13)6-4-8(11(15)16)18-14-6/h2-4H,1H3,(H,15,16)
InChIKeyJLIBSXMMISYVHA-UHFFFAOYSA-N
XLogP2.84
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421092
3-(3,6-dimethoxy-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411955
3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117382472
3-(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 136931104
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117479245
3-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117482587
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117380389
3-(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117406653
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136932487
3-(2-methoxy-4,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117369814
3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371581
3-(3-iodo-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 67517083

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 117431788) is 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid is COc1ccc(Cl)c(-c2cc(C(=O)O)on2)c1F.
What is the InChIKey of 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is JLIBSXMMISYVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO4/c1-17-7-3-2-5(12)9(10(7)13)6-4-8(11(15)16)18-14-6/h2-4H,1H3,(H,15,16).
What are the key properties of 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 271.63 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117431788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).