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

C15H15F3N2O — CID 170752670

IUPAC2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole
SMILESFc1cnccc1Cc1coc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H15F3N2O/c16-13-8-19-6-3-11(13)7-12-9-21-14(20-12)10-1-4-15(17,18)5-2-10/h3,6,8-10H,1-2,4-5,7H2
InChIKeyWRCVYNZURIFBDY-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.09
Rot. Bonds3

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

2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole (PubChem CID 170752670) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole
PubChem CID170752670
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole
SMILESFc1cnccc1Cc1coc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C15H15F3N2O/c16-13-8-19-6-3-11(13)7-12-9-21-14(20-12)10-1-4-15(17,18)5-2-10/h3,6,8-10H,1-2,4-5,7H2
InChIKeyWRCVYNZURIFBDY-UHFFFAOYSA-N
XLogP4.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole (CID 170752670) is 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole is Fc1cnccc1Cc1coc(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole?
The InChIKey is WRCVYNZURIFBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-13-8-19-6-3-11(13)7-12-9-21-14(20-12)10-1-4-15(17,18)5-2-10/h3,6,8-10H,1-2,4-5,7H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole?
2-(4,4-difluorocyclohexyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole has a molecular weight of 296.29 g/mol, XLogP of 4.09, 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 is sourced from PubChem (CID 170752670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).