N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C19H19N3O2S — CID 91790461

IUPACN-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)c1csc2c1CCCC2
InChIInChI=1S/C19H19N3O2S/c1-22(19(23)16-12-25-18-7-3-2-6-15(16)18)11-14-9-17(21-24-14)13-5-4-8-20-10-13/h4-5,8-10,12H,2-3,6-7,11H2,1H3
InChIKeyCADNZVKSYWJDOL-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.95
Rot. Bonds4

About N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 91790461) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID91790461
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)c1csc2c1CCCC2
InChIInChI=1S/C19H19N3O2S/c1-22(19(23)16-12-25-18-7-3-2-6-15(16)18)11-14-9-17(21-24-14)13-5-4-8-20-10-13/h4-5,8-10,12H,2-3,6-7,11H2,1H3
InChIKeyCADNZVKSYWJDOL-UHFFFAOYSA-N
XLogP3.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 70776271
N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide
CID 91773666
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 70724833
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582
2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 70758920
(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 97269100
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70757281
methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97188414
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
CID 56898566
2-(dimethylamino)-2-(3-fluorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 50971650

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 91790461) is N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CN(Cc1cc(-c2cccnc2)no1)C(=O)c1csc2c1CCCC2.
What is the InChIKey of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is CADNZVKSYWJDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-22(19(23)16-12-25-18-7-3-2-6-15(16)18)11-14-9-17(21-24-14)13-5-4-8-20-10-13/h4-5,8-10,12H,2-3,6-7,11H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 91790461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).