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

C9H15N3O — CID 63348149

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(N)CCc1nc(C2CC2)no1
InChIInChI=1S/C9H15N3O/c1-6(10)2-5-8-11-9(12-13-8)7-3-4-7/h6-7H,2-5,10H2,1H3
InChIKeyKJODWEFBMJKJPH-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.23
Rot. Bonds4

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

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 63348149) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID63348149
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(N)CCc1nc(C2CC2)no1
InChIInChI=1S/C9H15N3O/c1-6(10)2-5-8-11-9(12-13-8)7-3-4-7/h6-7H,2-5,10H2,1H3
InChIKeyKJODWEFBMJKJPH-UHFFFAOYSA-N
XLogP1.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202626
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82845855
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 107924606
5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
CID 65393884
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol
CID 170202003
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
3-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65402845
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401192
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350397
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 63348149) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine is CC(N)CCc1nc(C2CC2)no1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is KJODWEFBMJKJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(10)2-5-8-11-9(12-13-8)7-3-4-7/h6-7H,2-5,10H2,1H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 63348149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).