3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine

C16H27N3O2 — CID 103971647

IUPAC3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC(C)(C)C1CCC(c2nc(C3COCCN3)no2)CC1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)12-6-4-11(5-7-12)15-18-14(19-21-15)13-10-20-9-8-17-13/h11-13,17H,4-10H2,1-3H3
InChIKeyWKVSQOILUFUKFR-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.05
Rot. Bonds2

About 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine

3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971647) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971647
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC(C)(C)C1CCC(c2nc(C3COCCN3)no2)CC1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)12-6-4-11(5-7-12)15-18-14(19-21-15)13-10-20-9-8-17-13/h11-13,17H,4-10H2,1-3H3
InChIKeyWKVSQOILUFUKFR-UHFFFAOYSA-N
XLogP3.05
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
3-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971470
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971723
(3R,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911324
(3S,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912360
(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345709
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660490
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971571
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971477

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971647) is 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine is CC(C)(C)C1CCC(c2nc(C3COCCN3)no2)CC1.
What is the InChIKey of 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is WKVSQOILUFUKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,3)12-6-4-11(5-7-12)15-18-14(19-21-15)13-10-20-9-8-17-13/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 293.41 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).