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

C8H15N3O — CID 62653406

IUPAC1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCCCc1nc(CC(C)N)no1
InChIInChI=1S/C8H15N3O/c1-3-4-8-10-7(11-12-8)5-6(2)9/h6H,3-5,9H2,1-2H3
InChIKeyMGQGSHJIUJBNHU-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.91
Rot. Bonds4

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

1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine (PubChem CID 62653406) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
PubChem CID62653406
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCCCc1nc(CC(C)N)no1
InChIInChI=1S/C8H15N3O/c1-3-4-8-10-7(11-12-8)5-6(2)9/h6H,3-5,9H2,1-2H3
InChIKeyMGQGSHJIUJBNHU-UHFFFAOYSA-N
XLogP0.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79799529
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
CID 66228488
1-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077562
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62694731
1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 114321952
N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348217
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115773273
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
CID 119947668
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441

Frequently Asked Questions

What is the IUPAC name of 1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine (CID 62653406) is 1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine is CCCc1nc(CC(C)N)no1.
What is the InChIKey of 1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The InChIKey is MGQGSHJIUJBNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-4-8-10-7(11-12-8)5-6(2)9/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine has a molecular weight of 169.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine is sourced from PubChem (CID 62653406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).