3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

C15H15F3N2O2 — CID 135371009

IUPAC3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCC(F)(F)C2)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H15F3N2O2/c16-12-3-1-10(2-4-12)9-20-13(19-22-14(20)21)7-11-5-6-15(17,18)8-11/h1-4,11H,5-9H2
InChIKeyKUUJVWOSGQAHRG-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.00
Rot. Bonds4

About 3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135371009) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135371009
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCC(F)(F)C2)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H15F3N2O2/c16-12-3-1-10(2-4-12)9-20-13(19-22-14(20)21)7-11-5-6-15(17,18)8-11/h1-4,11H,5-9H2
InChIKeyKUUJVWOSGQAHRG-UHFFFAOYSA-N
XLogP3.00
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 135371009) is 3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(CC2CCC(F)(F)C2)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is KUUJVWOSGQAHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c16-12-3-1-10(2-4-12)9-20-13(19-22-14(20)21)7-11-5-6-15(17,18)8-11/h1-4,11H,5-9H2.
What are the key properties of 3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 312.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclopentyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135371009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).