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

C15H19N3O3S — CID 129327921

IUPAC1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one
SMILESCc1nnc([C@H]2CN(C(=O)CCCc3cccs3)CCO2)o1
InChIInChI=1S/C15H19N3O3S/c1-11-16-17-15(21-11)13-10-18(7-8-20-13)14(19)6-2-4-12-5-3-9-22-12/h3,5,9,13H,2,4,6-8,10H2,1H3/t13-/m1/s1
InChIKeyXHZRMJXFPZODBK-CYBMUJFWSA-N
MW321.40 g/mol
LogP2.36
Rot. Bonds5

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

1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one (PubChem CID 129327921) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one
PubChem CID129327921
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one
SMILESCc1nnc([C@H]2CN(C(=O)CCCc3cccs3)CCO2)o1
InChIInChI=1S/C15H19N3O3S/c1-11-16-17-15(21-11)13-10-18(7-8-20-13)14(19)6-2-4-12-5-3-9-22-12/h3,5,9,13H,2,4,6-8,10H2,1H3/t13-/m1/s1
InChIKeyXHZRMJXFPZODBK-CYBMUJFWSA-N
XLogP2.36
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
CID 129001830
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
2-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129325955
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124960617
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327260
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327262
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 127246266
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129326457
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124979682

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one (CID 129327921) is 1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one is Cc1nnc([C@H]2CN(C(=O)CCCc3cccs3)CCO2)o1.
What is the InChIKey of 1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one?
The InChIKey is XHZRMJXFPZODBK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-16-17-15(21-11)13-10-18(7-8-20-13)14(19)6-2-4-12-5-3-9-22-12/h3,5,9,13H,2,4,6-8,10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one?
1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one has a molecular weight of 321.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 129327921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).