1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine

C16H29N3O — CID 65389758

IUPAC1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1nc(C2CCC(CC)CC2)no1
InChIInChI=1S/C16H29N3O/c1-4-10-17-12(3)11-15-18-16(19-20-15)14-8-6-13(5-2)7-9-14/h12-14,17H,4-11H2,1-3H3
InChIKeyLPIYZMSCYKAUBT-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.68
Rot. Bonds7

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

1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine (PubChem CID 65389758) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
PubChem CID65389758
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1nc(C2CCC(CC)CC2)no1
InChIInChI=1S/C16H29N3O/c1-4-10-17-12(3)11-15-18-16(19-20-15)14-8-6-13(5-2)7-9-14/h12-14,17H,4-11H2,1-3H3
InChIKeyLPIYZMSCYKAUBT-UHFFFAOYSA-N
XLogP3.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine (CID 65389758) is 1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1nc(C2CCC(CC)CC2)no1.
What is the InChIKey of 1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine?
The InChIKey is LPIYZMSCYKAUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-10-17-12(3)11-15-18-16(19-20-15)14-8-6-13(5-2)7-9-14/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine?
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 65389758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).