5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide

C14H16N2O2S — CID 74245818

IUPAC5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCc1csc2c1CCCC2
InChIInChI=1S/C14H16N2O2S/c1-9-13(16-8-18-9)14(17)15-6-10-7-19-12-5-3-2-4-11(10)12/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyBZEKAMJLSDZQEA-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.85
Rot. Bonds3

About 5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide

5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 74245818) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID74245818
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCc1csc2c1CCCC2
InChIInChI=1S/C14H16N2O2S/c1-9-13(16-8-18-9)14(17)15-6-10-7-19-12-5-3-2-4-11(10)12/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyBZEKAMJLSDZQEA-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 122570604
6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide
CID 74231962
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 72853923
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 74246877
2,3-dimethyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 122556134
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
CID 131922267
3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 131926060
N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 155492420
2,7-dioxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-diazepane-4-carboxamide
CID 74240906
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 118794770
N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910526
N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 20881775

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 74245818) is 5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCc1csc2c1CCCC2.
What is the InChIKey of 5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BZEKAMJLSDZQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-13(16-8-18-9)14(17)15-6-10-7-19-12-5-3-2-4-11(10)12/h7-8H,2-6H2,1H3,(H,15,17).
What are the key properties of 5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide?
5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74245818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).