3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol

C10H7ClFNO2 — CID 165444068

IUPAC3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol
SMILESCc1onc(-c2ccc(Cl)cc2F)c1O
InChIInChI=1S/C10H7ClFNO2/c1-5-10(14)9(13-15-5)7-3-2-6(11)4-8(7)12/h2-4,14H,1H3
InChIKeyLTJFQBFPRFFJMI-UHFFFAOYSA-N
MW227.62 g/mol
LogP3.15
Rot. Bonds1

About 3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol

3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol (PubChem CID 165444068) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol
PubChem CID165444068
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol
SMILESCc1onc(-c2ccc(Cl)cc2F)c1O
InChIInChI=1S/C10H7ClFNO2/c1-5-10(14)9(13-15-5)7-3-2-6(11)4-8(7)12/h2-4,14H,1H3
InChIKeyLTJFQBFPRFFJMI-UHFFFAOYSA-N
XLogP3.15
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol (CID 165444068) is 3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol is Cc1onc(-c2ccc(Cl)cc2F)c1O.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol?
The InChIKey is LTJFQBFPRFFJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c1-5-10(14)9(13-15-5)7-3-2-6(11)4-8(7)12/h2-4,14H,1H3.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol?
3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol has a molecular weight of 227.62 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol is sourced from PubChem (CID 165444068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).