2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone

C17H27N3O4 — CID 129004659

IUPAC2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
SMILESCC(C)c1nnc(C2COCCN2C(=O)COC2CCCCC2)o1
InChIInChI=1S/C17H27N3O4/c1-12(2)16-18-19-17(24-16)14-10-22-9-8-20(14)15(21)11-23-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3
InChIKeyQQUFFRJXTKQKOF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.44
Rot. Bonds5

About 2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone

2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone (PubChem CID 129004659) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
PubChem CID129004659
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
SMILESCC(C)c1nnc(C2COCCN2C(=O)COC2CCCCC2)o1
InChIInChI=1S/C17H27N3O4/c1-12(2)16-18-19-17(24-16)14-10-22-9-8-20(14)15(21)11-23-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3
InChIKeyQQUFFRJXTKQKOF-UHFFFAOYSA-N
XLogP2.44
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 128993269
1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 129473760
1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 129473759
2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129474439
(2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327268
(6-methyl-3,4-dihydro-2H-pyran-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473120
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550
3,4-dihydro-2H-pyran-5-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472106
(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
CID 129327281
(4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326220
[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 128998991
(5-hydroxy-3-pyridinyl)-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128991419

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone (CID 129004659) is 2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone is CC(C)c1nnc(C2COCCN2C(=O)COC2CCCCC2)o1.
What is the InChIKey of 2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The InChIKey is QQUFFRJXTKQKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-12(2)16-18-19-17(24-16)14-10-22-9-8-20(14)15(21)11-23-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 129004659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).