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

C17H16F2N4O — CID 11186543

IUPAC3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc(CC(C)(F)F)cc2)n1
InChIInChI=1S/C17H16F2N4O/c1-17(18,19)10-11-5-7-12(8-6-11)16-22-15(23-24-16)13-4-3-9-21-14(13)20-2/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeySVRKPAFJRMFEPQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.04
Rot. Bonds5

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

3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (PubChem CID 11186543) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
PubChem CID11186543
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc(CC(C)(F)F)cc2)n1
InChIInChI=1S/C17H16F2N4O/c1-17(18,19)10-11-5-7-12(8-6-11)16-22-15(23-24-16)13-4-3-9-21-14(13)20-2/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeySVRKPAFJRMFEPQ-UHFFFAOYSA-N
XLogP4.04
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[4-(2,2-difluoropropyl)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-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (CID 11186543) is 3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is CNc1ncccc1-c1noc(-c2ccc(CC(C)(F)F)cc2)n1.
What is the InChIKey of 3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The InChIKey is SVRKPAFJRMFEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-17(18,19)10-11-5-7-12(8-6-11)16-22-15(23-24-16)13-4-3-9-21-14(13)20-2/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine has a molecular weight of 330.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 11186543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).