5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine

C12H17N5O — CID 72934866

IUPAC5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESc1cn(CCCNc2nnc(C3CCC3)o2)cn1
InChIInChI=1S/C12H17N5O/c1-3-10(4-1)11-15-16-12(18-11)14-5-2-7-17-8-6-13-9-17/h6,8-10H,1-5,7H2,(H,14,16)
InChIKeyDOVUYZCGXIZKCR-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.04
Rot. Bonds6

About 5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine

5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 72934866) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID72934866
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESc1cn(CCCNc2nnc(C3CCC3)o2)cn1
InChIInChI=1S/C12H17N5O/c1-3-10(4-1)11-15-16-12(18-11)14-5-2-7-17-8-6-13-9-17/h6,8-10H,1-5,7H2,(H,14,16)
InChIKeyDOVUYZCGXIZKCR-UHFFFAOYSA-N
XLogP2.04
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine (CID 72934866) is 5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine is c1cn(CCCNc2nnc(C3CCC3)o2)cn1.
What is the InChIKey of 5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DOVUYZCGXIZKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-10(4-1)11-15-16-12(18-11)14-5-2-7-17-8-6-13-9-17/h6,8-10H,1-5,7H2,(H,14,16).
What are the key properties of 5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72934866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).