N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine

C12H19N5O — CID 72936018

IUPACN-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCCCn2ccnc2C)o1
InChIInChI=1S/C12H19N5O/c1-3-5-11-15-16-12(18-11)14-6-4-8-17-9-7-13-10(17)2/h7,9H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyFNVRFIHZYHIEDT-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.03
Rot. Bonds7

About N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 72936018) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID72936018
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCCCn2ccnc2C)o1
InChIInChI=1S/C12H19N5O/c1-3-5-11-15-16-12(18-11)14-6-4-8-17-9-7-13-10(17)2/h7,9H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyFNVRFIHZYHIEDT-UHFFFAOYSA-N
XLogP2.03
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.03
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-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 72936018) is N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCCCn2ccnc2C)o1.
What is the InChIKey of N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is FNVRFIHZYHIEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-5-11-15-16-12(18-11)14-6-4-8-17-9-7-13-10(17)2/h7,9H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 249.32 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylimidazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72936018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).