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

C16H29N3O — CID 65389757

IUPAC3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC1CCC(c2noc(C(CC)C(C)NC)n2)CC1
InChIInChI=1S/C16H29N3O/c1-5-12-7-9-13(10-8-12)15-18-16(20-19-15)14(6-2)11(3)17-4/h11-14,17H,5-10H2,1-4H3
InChIKeyOLLADKDKMRSBSM-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.85
Rot. Bonds6

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

3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (PubChem CID 65389757) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
PubChem CID65389757
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC1CCC(c2noc(C(CC)C(C)NC)n2)CC1
InChIInChI=1S/C16H29N3O/c1-5-12-7-9-13(10-8-12)15-18-16(20-19-15)14(6-2)11(3)17-4/h11-14,17H,5-10H2,1-4H3
InChIKeyOLLADKDKMRSBSM-UHFFFAOYSA-N
XLogP3.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The IUPAC name of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (CID 65389757) is 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The canonical SMILES for 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is CCC1CCC(c2noc(C(CC)C(C)NC)n2)CC1.
What is the InChIKey of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The InChIKey is OLLADKDKMRSBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-12-7-9-13(10-8-12)15-18-16(20-19-15)14(6-2)11(3)17-4/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is sourced from PubChem (CID 65389757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).