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

C16H19F3N2O — CID 170752750

IUPAC2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane
SMILESCC.Fc1cnccc1Cc1coc(C2CCC(F)(F)C2)n1
InChIInChI=1S/C14H13F3N2O.C2H6/c15-12-7-18-4-2-9(12)5-11-8-20-13(19-11)10-1-3-14(16,17)6-10;1-2/h2,4,7-8,10H,1,3,5-6H2;1-2H3
InChIKeyZLCUIEJFTPZGEH-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.73
Rot. Bonds3

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

2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane (PubChem CID 170752750) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane
PubChem CID170752750
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane
SMILESCC.Fc1cnccc1Cc1coc(C2CCC(F)(F)C2)n1
InChIInChI=1S/C14H13F3N2O.C2H6/c15-12-7-18-4-2-9(12)5-11-8-20-13(19-11)10-1-3-14(16,17)6-10;1-2/h2,4,7-8,10H,1,3,5-6H2;1-2H3
InChIKeyZLCUIEJFTPZGEH-UHFFFAOYSA-N
XLogP4.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane (CID 170752750) is 2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane is CC.Fc1cnccc1Cc1coc(C2CCC(F)(F)C2)n1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane?
The InChIKey is ZLCUIEJFTPZGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O.C2H6/c15-12-7-18-4-2-9(12)5-11-8-20-13(19-11)10-1-3-14(16,17)6-10;1-2/h2,4,7-8,10H,1,3,5-6H2;1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane?
2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane has a molecular weight of 312.33 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane is sourced from PubChem (CID 170752750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).