2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane

C17H21F3N2O — CID 170752779

IUPAC2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane
SMILESCC.Fc1cnccc1Cc1coc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H15F3N2O.C2H6/c16-13-8-19-6-3-11(13)7-12-9-21-14(20-12)10-1-4-15(17,18)5-2-10;1-2/h3,6,8-10H,1-2,4-5,7H2;1-2H3
InChIKeyWBHRNZNVYLMUMN-UHFFFAOYSA-N
MW326.36 g/mol
LogP5.12
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane

2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane (PubChem CID 170752779) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane
PubChem CID170752779
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane
SMILESCC.Fc1cnccc1Cc1coc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H15F3N2O.C2H6/c16-13-8-19-6-3-11(13)7-12-9-21-14(20-12)10-1-4-15(17,18)5-2-10;1-2/h3,6,8-10H,1-2,4-5,7H2;1-2H3
InChIKeyWBHRNZNVYLMUMN-UHFFFAOYSA-N
XLogP5.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane 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 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane (CID 170752779) is 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane is CC.Fc1cnccc1Cc1coc(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane?
The InChIKey is WBHRNZNVYLMUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O.C2H6/c16-13-8-19-6-3-11(13)7-12-9-21-14(20-12)10-1-4-15(17,18)5-2-10;1-2/h3,6,8-10H,1-2,4-5,7H2;1-2H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane?
2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane has a molecular weight of 326.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane is sourced from PubChem (CID 170752779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).