3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole

C11H10FNO — CID 174666192

IUPAC3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2F)c1C
InChIInChI=1S/C11H10FNO/c1-7-8(2)14-13-11(7)9-5-3-4-6-10(9)12/h3-6H,1-2H3
InChIKeyBZBWOEHJXCIZNM-UHFFFAOYSA-N
MW191.21 g/mol
LogP3.10
Rot. Bonds1

About 3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole

3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole (PubChem CID 174666192) has the molecular formula C11H10FNO and a molecular weight of 191.21 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole
PubChem CID174666192
Molecular FormulaC11H10FNO
Molecular Weight191.21 g/mol
Exact Mass191.07
IUPAC Name3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2F)c1C
InChIInChI=1S/C11H10FNO/c1-7-8(2)14-13-11(7)9-5-3-4-6-10(9)12/h3-6H,1-2H3
InChIKeyBZBWOEHJXCIZNM-UHFFFAOYSA-N
XLogP3.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole?
The IUPAC name of 3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole (CID 174666192) is 3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole?
The canonical SMILES for 3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole is Cc1onc(-c2ccccc2F)c1C.
What is the InChIKey of 3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole?
The InChIKey is BZBWOEHJXCIZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-7-8(2)14-13-11(7)9-5-3-4-6-10(9)12/h3-6H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole?
3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole has a molecular weight of 191.21 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 174666192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).