1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

C18H29N3O3 — CID 167770453

IUPAC1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESOC1(c2nc(C3CN(C4CCCCC4)CCO3)no2)CCCCC1
InChIInChI=1S/C18H29N3O3/c22-18(9-5-2-6-10-18)17-19-16(20-24-17)15-13-21(11-12-23-15)14-7-3-1-4-8-14/h14-15,22H,1-13H2
InChIKeyUMJKAXCEEVNXLC-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.93
Rot. Bonds3

About 1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 167770453) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID167770453
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESOC1(c2nc(C3CN(C4CCCCC4)CCO3)no2)CCCCC1
InChIInChI=1S/C18H29N3O3/c22-18(9-5-2-6-10-18)17-19-16(20-24-17)15-13-21(11-12-23-15)14-7-3-1-4-8-14/h14-15,22H,1-13H2
InChIKeyUMJKAXCEEVNXLC-UHFFFAOYSA-N
XLogP2.93
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 167770453) is 1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is OC1(c2nc(C3CN(C4CCCCC4)CCO3)no2)CCCCC1.
What is the InChIKey of 1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is UMJKAXCEEVNXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c22-18(9-5-2-6-10-18)17-19-16(20-24-17)15-13-21(11-12-23-15)14-7-3-1-4-8-14/h14-15,22H,1-13H2.
What are the key properties of 1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 335.45 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclohexylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 167770453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).