4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C17H29N3O — CID 106828747

IUPAC4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(C3(C)CCCCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-3-13-7-11-17(18,12-8-13)14-19-15(21-20-14)16(2)9-5-4-6-10-16/h13H,3-12,18H2,1-2H3
InChIKeyWPEMOLXOXSJUBA-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.05
Rot. Bonds3

About 4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 106828747) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID106828747
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(C3(C)CCCCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-3-13-7-11-17(18,12-8-13)14-19-15(21-20-14)16(2)9-5-4-6-10-16/h13H,3-12,18H2,1-2H3
InChIKeyWPEMOLXOXSJUBA-UHFFFAOYSA-N
XLogP4.05
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 61351745
1-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 83148343
4-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65085475
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-ethylcyclohexan-1-amine
CID 61295067
4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353339
4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 83138229
1-[5-(1-propylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860019
4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 114822750
1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclohexan-1-amine
CID 61293044
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 63023402

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 106828747) is 4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is CCC1CCC(N)(c2noc(C3(C)CCCCC3)n2)CC1.
What is the InChIKey of 4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is WPEMOLXOXSJUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-13-7-11-17(18,12-8-13)14-19-15(21-20-14)16(2)9-5-4-6-10-16/h13H,3-12,18H2,1-2H3.
What are the key properties of 4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 106828747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).