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

C16H21N3O3S — CID 129473759

IUPAC1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESCC(C)c1nnc([C@H]2COCCN2C(=O)CCc2cccs2)o1
InChIInChI=1S/C16H21N3O3S/c1-11(2)15-17-18-16(22-15)13-10-21-8-7-19(13)14(20)6-5-12-4-3-9-23-12/h3-4,9,11,13H,5-8,10H2,1-2H3/t13-/m1/s1
InChIKeyWMUXJPFYCLMLNV-CYBMUJFWSA-N
MW335.43 g/mol
LogP2.79
Rot. Bonds5

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

1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 129473759) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID129473759
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESCC(C)c1nnc([C@H]2COCCN2C(=O)CCc2cccs2)o1
InChIInChI=1S/C16H21N3O3S/c1-11(2)15-17-18-16(22-15)13-10-21-8-7-19(13)14(20)6-5-12-4-3-9-23-12/h3-4,9,11,13H,5-8,10H2,1-2H3/t13-/m1/s1
InChIKeyWMUXJPFYCLMLNV-CYBMUJFWSA-N
XLogP2.79
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 128993269
1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110663863
(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
2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129004659
2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129474439
[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
(4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326220
1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110105531
N-(6-methyl-2-pyridinyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 154753445
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
(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 1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (CID 129473759) is 1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is CC(C)c1nnc([C@H]2COCCN2C(=O)CCc2cccs2)o1.
What is the InChIKey of 1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is WMUXJPFYCLMLNV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11(2)15-17-18-16(22-15)13-10-21-8-7-19(13)14(20)6-5-12-4-3-9-23-12/h3-4,9,11,13H,5-8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 335.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 129473759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).