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

C14H17N3O3S — CID 129004647

IUPAC1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one
SMILESCc1nnc(C2COCCN2C(=O)C(C)c2ccsc2)o1
InChIInChI=1S/C14H17N3O3S/c1-9(11-3-6-21-8-11)14(18)17-4-5-19-7-12(17)13-16-15-10(2)20-13/h3,6,8-9,12H,4-5,7H2,1-2H3
InChIKeyUHVOMQKKBCACRP-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.14
Rot. Bonds3

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

1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one (PubChem CID 129004647) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one
PubChem CID129004647
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one
SMILESCc1nnc(C2COCCN2C(=O)C(C)c2ccsc2)o1
InChIInChI=1S/C14H17N3O3S/c1-9(11-3-6-21-8-11)14(18)17-4-5-19-7-12(17)13-16-15-10(2)20-13/h3,6,8-9,12H,4-5,7H2,1-2H3
InChIKeyUHVOMQKKBCACRP-UHFFFAOYSA-N
XLogP2.14
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129473486
(2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327268
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
(5-ethylfuran-2-yl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327673
2-(4-fluorophenyl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128998164
(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-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472115
[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
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 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one (CID 129004647) is 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one is Cc1nnc(C2COCCN2C(=O)C(C)c2ccsc2)o1.
What is the InChIKey of 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one?
The InChIKey is UHVOMQKKBCACRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9(11-3-6-21-8-11)14(18)17-4-5-19-7-12(17)13-16-15-10(2)20-13/h3,6,8-9,12H,4-5,7H2,1-2H3.
What are the key properties of 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one?
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one has a molecular weight of 307.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 129004647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).