N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C13H18N4O — CID 54924301

IUPACN-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)NCCCc1nc(-c2ccncc2)no1
InChIInChI=1S/C13H18N4O/c1-10(2)15-7-3-4-12-16-13(17-18-12)11-5-8-14-9-6-11/h5-6,8-10,15H,3-4,7H2,1-2H3
InChIKeyQUWWQJJKWQUTJR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.06
Rot. Bonds6

About N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 54924301) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID54924301
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)NCCCc1nc(-c2ccncc2)no1
InChIInChI=1S/C13H18N4O/c1-10(2)15-7-3-4-12-16-13(17-18-12)11-5-8-14-9-6-11/h5-6,8-10,15H,3-4,7H2,1-2H3
InChIKeyQUWWQJJKWQUTJR-UHFFFAOYSA-N
XLogP2.06
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 60835917
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347367
N-[2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 106847387
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 107502081
N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924068
N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 55203186
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 112825951
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 102949727

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 54924301) is N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC(C)NCCCc1nc(-c2ccncc2)no1.
What is the InChIKey of N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is QUWWQJJKWQUTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)15-7-3-4-12-16-13(17-18-12)11-5-8-14-9-6-11/h5-6,8-10,15H,3-4,7H2,1-2H3.
What are the key properties of N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 54924301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).