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

C9H17N3O — CID 43630134

IUPAC1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCCC(N)c1nc(C(C)C)no1
InChIInChI=1S/C9H17N3O/c1-4-5-7(10)9-11-8(6(2)3)12-13-9/h6-7H,4-5,10H2,1-3H3
InChIKeyFKEFUQIBHCASNH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.99
Rot. Bonds4

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

1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 43630134) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID43630134
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCCC(N)c1nc(C(C)C)no1
InChIInChI=1S/C9H17N3O/c1-4-5-7(10)9-11-8(6(2)3)12-13-9/h6-7H,4-5,10H2,1-3H3
InChIKeyFKEFUQIBHCASNH-UHFFFAOYSA-N
XLogP1.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43108532
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565568
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107565558
(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565578
2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 83290514
(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565588
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93057363
(1S)-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565256

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 43630134) is 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCCC(N)c1nc(C(C)C)no1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is FKEFUQIBHCASNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-5-7(10)9-11-8(6(2)3)12-13-9/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 43630134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).