1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C16H15N3O3S — CID 129472115

IUPAC1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1nnc([C@H]2COCCN2C(=O)c2cc3ccccc3s2)o1
InChIInChI=1S/C16H15N3O3S/c1-10-17-18-15(22-10)12-9-21-7-6-19(12)16(20)14-8-11-4-2-3-5-13(11)23-14/h2-5,8,12H,6-7,9H2,1H3/t12-/m1/s1
InChIKeyFNPVHCVUDZXGMX-GFCCVEGCSA-N
MW329.38 g/mol
LogP2.81
Rot. Bonds2

About 1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129472115) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129472115
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1nnc([C@H]2COCCN2C(=O)c2cc3ccccc3s2)o1
InChIInChI=1S/C16H15N3O3S/c1-10-17-18-15(22-10)12-9-21-7-6-19(12)16(20)14-8-11-4-2-3-5-13(11)23-14/h2-5,8,12H,6-7,9H2,1H3/t12-/m1/s1
InChIKeyFNPVHCVUDZXGMX-GFCCVEGCSA-N
XLogP2.81
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-indol-6-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129474082
(5-methylimidazo[1,2-a]pyridin-2-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129000446
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325708
(5-ethylfuran-2-yl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327673
2H-chromen-3-yl-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128996736
(2,4-difluoro-5-methylphenyl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325984
3-indol-1-yl-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129472880
(5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 136564951
2-(2,6-dimethylphenoxy)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128967184
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiophen-3-ylpropan-1-one
CID 129004647
1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 110114137
2-(4-fluorophenyl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128998164

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129472115) is 1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is Cc1nnc([C@H]2COCCN2C(=O)c2cc3ccccc3s2)o1.
What is the InChIKey of 1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is FNPVHCVUDZXGMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-17-18-15(22-10)12-9-21-7-6-19(12)16(20)14-8-11-4-2-3-5-13(11)23-14/h2-5,8,12H,6-7,9H2,1H3/t12-/m1/s1.
What are the key properties of 1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 329.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129472115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).