N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C17H17FN4O — CID 53037216

IUPACN-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCCC(C)Nc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1
InChIInChI=1S/C17H17FN4O/c1-3-11(2)20-15-8-7-13(10-19-15)17-21-16(22-23-17)12-5-4-6-14(18)9-12/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyZSPZPJHCYKVQEI-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.15
Rot. Bonds5

About N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 53037216) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID53037216
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCCC(C)Nc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1
InChIInChI=1S/C17H17FN4O/c1-3-11(2)20-15-8-7-13(10-19-15)17-21-16(22-23-17)12-5-4-6-14(18)9-12/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyZSPZPJHCYKVQEI-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-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

Related Compounds

1,2,4-Oxadiazole, 3,5-bis(3-pyridinyl)-
CID 577830
5-(2-Fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2876920
3-(5-Pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 647656
5-(3-Fluorophenyl)-3-(4-pyridyl)-1,2,4-oxadiazole
CID 1504248
2-[5-(3-Pyridinyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 798247
3-Phenyl-5-(3-pyridyl)-1,2,4-oxadiazole
CID 1122276
3-[2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenyl]-N-(2-hydroxyethyl)propanamide
CID 44218906
5-[4-[1-(5-Pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 68074929
N-[1-[benzyl(methyl)amino]propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
CID 71577194
US9670193, 21 (R)-N-(1-(benzyl(methyl)amino)propan-2-yl)-6-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)nicotinamide
CID 73356727
(3S,4S)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol
CID 118264112
N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-yl)acetamide
CID 24901423

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 53037216) is N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CCC(C)Nc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1.
What is the InChIKey of N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is ZSPZPJHCYKVQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-3-11(2)20-15-8-7-13(10-19-15)17-21-16(22-23-17)12-5-4-6-14(18)9-12/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 312.35 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 53037216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).