1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine

C9H17N3O — CID 43670386

IUPAC1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCCc1noc(C(N)CCC)n1
InChIInChI=1S/C9H17N3O/c1-3-5-7(10)9-11-8(6-4-2)12-13-9/h7H,3-6,10H2,1-2H3
InChIKeyJBWNILZWFMIYTO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.82
Rot. Bonds5

About 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine

1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 43670386) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID43670386
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCCc1noc(C(N)CCC)n1
InChIInChI=1S/C9H17N3O/c1-3-5-7(10)9-11-8(6-4-2)12-13-9/h7H,3-6,10H2,1-2H3
InChIKeyJBWNILZWFMIYTO-UHFFFAOYSA-N
XLogP1.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-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-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107565558
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115345334
3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43670404
(1S)-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565256
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 62472893
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93258995
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115345285
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 79405955
6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 65285729

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 43670386) is 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCCc1noc(C(N)CCC)n1.
What is the InChIKey of 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is JBWNILZWFMIYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-5-7(10)9-11-8(6-4-2)12-13-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 43670386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).