(2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

C17H27N3O4 — CID 129327268

IUPAC(2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1nnc([C@H]2COCCN2C(=O)[C@@H](C)OC2CCCCCC2)o1
InChIInChI=1S/C17H27N3O4/c1-12(23-14-7-5-3-4-6-8-14)17(21)20-9-10-22-11-15(20)16-19-18-13(2)24-16/h12,14-15H,3-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyRNNHVWAYNLPCKW-IUODEOHRSA-N
MW337.42 g/mol
LogP2.41
Rot. Bonds4

About (2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

(2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 129327268) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID129327268
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name(2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1nnc([C@H]2COCCN2C(=O)[C@@H](C)OC2CCCCCC2)o1
InChIInChI=1S/C17H27N3O4/c1-12(23-14-7-5-3-4-6-8-14)17(21)20-9-10-22-11-15(20)16-19-18-13(2)24-16/h12,14-15H,3-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyRNNHVWAYNLPCKW-IUODEOHRSA-N
XLogP2.41
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327676
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one
CID 129004647
2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129004659
(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129473486
1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 129326628
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 128996947
2-(4-fluorophenyl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128998164
[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129000821
2-(2,6-dimethylphenoxy)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128967184
(2,4-difluoro-5-methylphenyl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325984
(5-ethylfuran-2-yl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327673
1H-indol-6-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129474082

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of (2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (CID 129327268) is (2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for (2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for (2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is Cc1nnc([C@H]2COCCN2C(=O)[C@@H](C)OC2CCCCCC2)o1.
What is the InChIKey of (2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is RNNHVWAYNLPCKW-IUODEOHRSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-12(23-14-7-5-3-4-6-8-14)17(21)20-9-10-22-11-15(20)16-19-18-13(2)24-16/h12,14-15H,3-11H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of (2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
(2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 337.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 129327268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).