[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

C20H20N4O3S — CID 110242955

IUPAC[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)N1CCOC(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C20H20N4O3S/c25-20(17-11-14-3-1-2-4-16(14)28-17)24-9-10-26-15(12-24)19-22-18(23-27-19)13-5-7-21-8-6-13/h5-8,11,15H,1-4,9-10,12H2
InChIKeyBYPIHMBGJPKDAP-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.29
Rot. Bonds3

About [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 110242955) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID110242955
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCCC2)N1CCOC(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C20H20N4O3S/c25-20(17-11-14-3-1-2-4-16(14)28-17)24-9-10-26-15(12-24)19-22-18(23-27-19)13-5-7-21-8-6-13/h5-8,11,15H,1-4,9-10,12H2
InChIKeyBYPIHMBGJPKDAP-UHFFFAOYSA-N
XLogP3.29
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 110242986
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 46956752
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105148
[2-(bromomethyl)morpholin-4-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 81210960
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511671
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9254705
[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 97133718
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56818669
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 86877317
2-(4-fluorophenyl)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 142778838
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314051

Frequently Asked Questions

What is the IUPAC name of [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 110242955) is [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is O=C(c1cc2c(s1)CCCC2)N1CCOC(c2nc(-c3ccncc3)no2)C1.
What is the InChIKey of [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is BYPIHMBGJPKDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-20(17-11-14-3-1-2-4-16(14)28-17)24-9-10-26-15(12-24)19-22-18(23-27-19)13-5-7-21-8-6-13/h5-8,11,15H,1-4,9-10,12H2.
What are the key properties of [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 396.47 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 110242955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).