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

C11H17N5O — CID 75399631

IUPACN-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(NCCCn2ccnc2)n1
InChIInChI=1S/C11H17N5O/c1-9(2)10-14-11(17-15-10)13-4-3-6-16-7-5-12-8-16/h5,7-9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyVAUZDFZQTTVFQK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.89
Rot. Bonds6

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

N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 75399631) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID75399631
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(NCCCn2ccnc2)n1
InChIInChI=1S/C11H17N5O/c1-9(2)10-14-11(17-15-10)13-4-3-6-16-7-5-12-8-16/h5,7-9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyVAUZDFZQTTVFQK-UHFFFAOYSA-N
XLogP1.89
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.89
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 N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 75399631) is N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine is CC(C)c1noc(NCCCn2ccnc2)n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is VAUZDFZQTTVFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-9(2)10-14-11(17-15-10)13-4-3-6-16-7-5-12-8-16/h5,7-9H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 235.29 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 75399631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).