4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine

C16H28N4O — CID 116809369

IUPAC4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(c2nc(N3CCCCCC3)no2)CC1
InChIInChI=1S/C16H28N4O/c1-2-17-14-9-7-13(8-10-14)15-18-16(19-21-15)20-11-5-3-4-6-12-20/h13-14,17H,2-12H2,1H3
InChIKeyDOBYVUNYWRIFKY-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.09
Rot. Bonds4

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

4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine (PubChem CID 116809369) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
PubChem CID116809369
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(c2nc(N3CCCCCC3)no2)CC1
InChIInChI=1S/C16H28N4O/c1-2-17-14-9-7-13(8-10-14)15-18-16(19-21-15)20-11-5-3-4-6-12-20/h13-14,17H,2-12H2,1H3
InChIKeyDOBYVUNYWRIFKY-UHFFFAOYSA-N
XLogP3.09
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 116809201
N-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 116807158
3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743714
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 103552158
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine
CID 116807168
N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347579
N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350837
1-cyclopropyl-N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 116809156
2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine
CID 125437902
5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole
CID 122557437
[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 104963904

Frequently Asked Questions

What is the IUPAC name of 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine (CID 116809369) is 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine is CCNC1CCC(c2nc(N3CCCCCC3)no2)CC1.
What is the InChIKey of 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
The InChIKey is DOBYVUNYWRIFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-17-14-9-7-13(8-10-14)15-18-16(19-21-15)20-11-5-3-4-6-12-20/h13-14,17H,2-12H2,1H3.
What are the key properties of 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 116809369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).