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

C10H19N3O — CID 16768386

IUPAC5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESCC(C)c1noc(CCCCCN)n1
InChIInChI=1S/C10H19N3O/c1-8(2)10-12-9(14-13-10)6-4-3-5-7-11/h8H,3-7,11H2,1-2H3
InChIKeyXNLIDKOKQOZQOV-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.86
Rot. Bonds6

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

5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine (PubChem CID 16768386) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
PubChem CID16768386
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESCC(C)c1noc(CCCCCN)n1
InChIInChI=1S/C10H19N3O/c1-8(2)10-12-9(14-13-10)6-4-3-5-7-11/h8H,3-7,11H2,1-2H3
InChIKeyXNLIDKOKQOZQOV-UHFFFAOYSA-N
XLogP1.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The IUPAC name of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine (CID 16768386) is 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine is CC(C)c1noc(CCCCCN)n1.
What is the InChIKey of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The InChIKey is XNLIDKOKQOZQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)10-12-9(14-13-10)6-4-3-5-7-11/h8H,3-7,11H2,1-2H3.
What are the key properties of 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 16768386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).