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

C13H9F2N3O — CID 106524199

IUPAC2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C13H9F2N3O/c14-9-1-7(2-10(15)5-9)3-12-17-13(19-18-12)11-4-8(11)6-16/h1-2,5,8,11H,3-4H2
InChIKeyHSUQYEJZVDWOBP-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.57
Rot. Bonds3

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

2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (PubChem CID 106524199) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
PubChem CID106524199
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC Name2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C13H9F2N3O/c14-9-1-7(2-10(15)5-9)3-12-17-13(19-18-12)11-4-8(11)6-16/h1-2,5,8,11H,3-4H2
InChIKeyHSUQYEJZVDWOBP-UHFFFAOYSA-N
XLogP2.57
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile 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-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (CID 106524199) is 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is N#CC1CC1c1nc(Cc2cc(F)cc(F)c2)no1.
What is the InChIKey of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The InChIKey is HSUQYEJZVDWOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O/c14-9-1-7(2-10(15)5-9)3-12-17-13(19-18-12)11-4-8(11)6-16/h1-2,5,8,11H,3-4H2.
What are the key properties of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile has a molecular weight of 261.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 106524199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).