3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole

C18H17ClF2N4O — CID 44580175

IUPAC3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole
SMILESCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1(F)CCNCC1
InChIInChI=1S/C18H17ClF2N4O/c1-25-14(10-23-17(25)18(21)5-7-22-8-6-18)15-9-13(24-26-15)16-11(19)3-2-4-12(16)20/h2-4,9-10,22H,5-8H2,1H3
InChIKeyBQFJTJDULYXNJI-UHFFFAOYSA-N
MW378.81 g/mol
LogP4.08
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole

3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole (PubChem CID 44580175) has the molecular formula C18H17ClF2N4O and a molecular weight of 378.81 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole
PubChem CID44580175
Molecular FormulaC18H17ClF2N4O
Molecular Weight378.81 g/mol
Exact Mass378.11
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole
SMILESCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1(F)CCNCC1
InChIInChI=1S/C18H17ClF2N4O/c1-25-14(10-23-17(25)18(21)5-7-22-8-6-18)15-9-13(24-26-15)16-11(19)3-2-4-12(16)20/h2-4,9-10,22H,5-8H2,1H3
InChIKeyBQFJTJDULYXNJI-UHFFFAOYSA-N
XLogP4.08
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole (CID 44580175) is 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole is Cn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1(F)CCNCC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole?
The InChIKey is BQFJTJDULYXNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O/c1-25-14(10-23-17(25)18(21)5-7-22-8-6-18)15-9-13(24-26-15)16-11(19)3-2-4-12(16)20/h2-4,9-10,22H,5-8H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole has a molecular weight of 378.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-[2-(4-fluoropiperidin-4-yl)-3-methylimidazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 44580175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).