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

C11H7ClFNO3 — CID 114866743

IUPAC3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cc(Cl)ccc2F)c1C(=O)O
InChIInChI=1S/C11H7ClFNO3/c1-5-9(11(15)16)10(14-17-5)7-4-6(12)2-3-8(7)13/h2-4H,1H3,(H,15,16)
InChIKeyPOYWRDDLOLPVKT-UHFFFAOYSA-N
MW255.63 g/mol
LogP3.14
Rot. Bonds2

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

3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 114866743) has the molecular formula C11H7ClFNO3 and a molecular weight of 255.63 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID114866743
Molecular FormulaC11H7ClFNO3
Molecular Weight255.63 g/mol
Exact Mass255.01
IUPAC Name3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cc(Cl)ccc2F)c1C(=O)O
InChIInChI=1S/C11H7ClFNO3/c1-5-9(11(15)16)10(14-17-5)7-4-6(12)2-3-8(7)13/h2-4H,1H3,(H,15,16)
InChIKeyPOYWRDDLOLPVKT-UHFFFAOYSA-N
XLogP3.14
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid
CID 86037624
1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 67420541
3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 82371650
3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol
CID 165444068
N-(3-chloro-4-methylphenyl)-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805507
3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 165454204
3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid
CID 82481566
5-ethyl-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 114058122
3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362315
N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 126962398
3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805541
3-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxylic acid;hydrochloride
CID 70609031

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 114866743) is 3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2cc(Cl)ccc2F)c1C(=O)O.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is POYWRDDLOLPVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO3/c1-5-9(11(15)16)10(14-17-5)7-4-6(12)2-3-8(7)13/h2-4H,1H3,(H,15,16).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 255.63 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 114866743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).