N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine

C17H17FN4O — CID 126768709

IUPACN-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(NCc2ccc(-c3ccncc3)cc2F)n1
InChIInChI=1S/C17H17FN4O/c1-11(2)16-21-17(23-22-16)20-10-14-4-3-13(9-15(14)18)12-5-7-19-8-6-12/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeyJNUFJTKSZTZVHP-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.01
Rot. Bonds5

About N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine

N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 126768709) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID126768709
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(NCc2ccc(-c3ccncc3)cc2F)n1
InChIInChI=1S/C17H17FN4O/c1-11(2)16-21-17(23-22-16)20-10-14-4-3-13(9-15(14)18)12-5-7-19-8-6-12/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeyJNUFJTKSZTZVHP-UHFFFAOYSA-N
XLogP4.01
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-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 N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 126768709) is N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine is CC(C)c1noc(NCc2ccc(-c3ccncc3)cc2F)n1.
What is the InChIKey of N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is JNUFJTKSZTZVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11(2)16-21-17(23-22-16)20-10-14-4-3-13(9-15(14)18)12-5-7-19-8-6-12/h3-9,11H,10H2,1-2H3,(H,20,21,22).
What are the key properties of N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 312.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 126768709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).