1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile

C15H13F2N3O — CID 122142206

IUPAC1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
SMILESN#CC1(c2nc(Cc3cc(F)cc(F)c3)no2)CCCC1
InChIInChI=1S/C15H13F2N3O/c16-11-5-10(6-12(17)8-11)7-13-19-14(21-20-13)15(9-18)3-1-2-4-15/h5-6,8H,1-4,7H2
InChIKeyOTJFZVYEJOMJCQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.27
Rot. Bonds3

About 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile

1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile (PubChem CID 122142206) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
PubChem CID122142206
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
SMILESN#CC1(c2nc(Cc3cc(F)cc(F)c3)no2)CCCC1
InChIInChI=1S/C15H13F2N3O/c16-11-5-10(6-12(17)8-11)7-13-19-14(21-20-13)15(9-18)3-1-2-4-15/h5-6,8H,1-4,7H2
InChIKeyOTJFZVYEJOMJCQ-UHFFFAOYSA-N
XLogP3.27
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile (CID 122142206) is 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile is N#CC1(c2nc(Cc3cc(F)cc(F)c3)no2)CCCC1.
What is the InChIKey of 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
The InChIKey is OTJFZVYEJOMJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-11-5-10(6-12(17)8-11)7-13-19-14(21-20-13)15(9-18)3-1-2-4-15/h5-6,8H,1-4,7H2.
What are the key properties of 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile has a molecular weight of 289.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 122142206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).