3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine

C19H18F2N4O — CID 11302732

IUPAC3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc([C@@H]3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C19H18F2N4O/c1-22-16-15(3-2-10-23-16)17-24-18(26-25-17)13-6-4-12(5-7-13)14-8-9-19(20,21)11-14/h2-7,10,14H,8-9,11H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyWCVMTXNIUAVTDT-CQSZACIVSA-N
MW356.38 g/mol
LogP4.74
Rot. Bonds4

About 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine

3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (PubChem CID 11302732) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
PubChem CID11302732
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc([C@@H]3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C19H18F2N4O/c1-22-16-15(3-2-10-23-16)17-24-18(26-25-17)13-6-4-12(5-7-13)14-8-9-19(20,21)11-14/h2-7,10,14H,8-9,11H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyWCVMTXNIUAVTDT-CQSZACIVSA-N
XLogP4.74
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine 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 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (CID 11302732) is 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is CNc1ncccc1-c1noc(-c2ccc([C@@H]3CCC(F)(F)C3)cc2)n1.
What is the InChIKey of 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The InChIKey is WCVMTXNIUAVTDT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-22-16-15(3-2-10-23-16)17-24-18(26-25-17)13-6-4-12(5-7-13)14-8-9-19(20,21)11-14/h2-7,10,14H,8-9,11H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine has a molecular weight of 356.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 11302732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).