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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Related Compounds

4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 65197707
[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 82895650
N-[[2-(3-methylimidazol-4-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 82903364
N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347579
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 103988179
3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902698
1-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 82902554
(2R,4R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475139
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide
CID 121498181
N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82902395
2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 82895457
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719205

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).