2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

C16H27N3O2 — CID 66435398

IUPAC2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCC(C)C1CCC(c2noc(CC3CNCCO3)n2)CC1
InChIInChI=1S/C16H27N3O2/c1-11(2)12-3-5-13(6-4-12)16-18-15(21-19-16)9-14-10-17-7-8-20-14/h11-14,17H,3-10H2,1-2H3
InChIKeyXALMYQRHMXLEQH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.53
Rot. Bonds4

About 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 66435398) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID66435398
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCC(C)C1CCC(c2noc(CC3CNCCO3)n2)CC1
InChIInChI=1S/C16H27N3O2/c1-11(2)12-3-5-13(6-4-12)16-18-15(21-19-16)9-14-10-17-7-8-20-14/h11-14,17H,3-10H2,1-2H3
InChIKeyXALMYQRHMXLEQH-UHFFFAOYSA-N
XLogP2.53
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]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

(2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 124511228
2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66435007
5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 79609656
2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434808
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 80620260
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 66434031
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 79405738
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401192
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65424237

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 66435398) is 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is CC(C)C1CCC(c2noc(CC3CNCCO3)n2)CC1.
What is the InChIKey of 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is XALMYQRHMXLEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)12-3-5-13(6-4-12)16-18-15(21-19-16)9-14-10-17-7-8-20-14/h11-14,17H,3-10H2,1-2H3.
What are the key properties of 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 293.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 66435398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).