N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C12H11F2N3O — CID 62661640

IUPACN-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESFc1cccc(-c2nnc(CNC3CC3)o2)c1F
InChIInChI=1S/C12H11F2N3O/c13-9-3-1-2-8(11(9)14)12-17-16-10(18-12)6-15-7-4-5-7/h1-3,7,15H,4-6H2
InChIKeyIWECJMWKBOVHQS-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.27
Rot. Bonds4

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

N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62661640) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62661640
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESFc1cccc(-c2nnc(CNC3CC3)o2)c1F
InChIInChI=1S/C12H11F2N3O/c13-9-3-1-2-8(11(9)14)12-17-16-10(18-12)6-15-7-4-5-7/h1-3,7,15H,4-6H2
InChIKeyIWECJMWKBOVHQS-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine 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 N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62661640) is N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is Fc1cccc(-c2nnc(CNC3CC3)o2)c1F.
What is the InChIKey of N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is IWECJMWKBOVHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-9-3-1-2-8(11(9)14)12-17-16-10(18-12)6-15-7-4-5-7/h1-3,7,15H,4-6H2.
What are the key properties of N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 251.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62661640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).