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

C15H23N5O — CID 82887297

IUPAC4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(c2nc(-c3cncn3C)no2)CC1
InChIInChI=1S/C15H23N5O/c1-3-8-17-12-6-4-11(5-7-12)15-18-14(19-21-15)13-9-16-10-20(13)2/h9-12,17H,3-8H2,1-2H3
InChIKeyOWQCVKHSRCULHV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.50
Rot. Bonds5

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

4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine (PubChem CID 82887297) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
PubChem CID82887297
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(c2nc(-c3cncn3C)no2)CC1
InChIInChI=1S/C15H23N5O/c1-3-8-17-12-6-4-11(5-7-12)15-18-14(19-21-15)13-9-16-10-20(13)2/h9-12,17H,3-8H2,1-2H3
InChIKeyOWQCVKHSRCULHV-UHFFFAOYSA-N
XLogP2.50
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine (CID 82887297) is 4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine is CCCNC1CCC(c2nc(-c3cncn3C)no2)CC1.
What is the InChIKey of 4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The InChIKey is OWQCVKHSRCULHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-8-17-12-6-4-11(5-7-12)15-18-14(19-21-15)13-9-16-10-20(13)2/h9-12,17H,3-8H2,1-2H3.
What are the key properties of 4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 82887297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).