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

C13H14N2O2S — CID 2315401

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(s2)CCCC3)no1
InChIInChI=1S/C13H14N2O2S/c1-8-6-12(15-17-8)14-13(16)11-7-9-4-2-3-5-10(9)18-11/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyIXELSLVVWLMFFD-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.18
Rot. Bonds2

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

N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 2315401) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID2315401
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(s2)CCCC3)no1
InChIInChI=1S/C13H14N2O2S/c1-8-6-12(15-17-8)14-13(16)11-7-9-4-2-3-5-10(9)18-11/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyIXELSLVVWLMFFD-UHFFFAOYSA-N
XLogP3.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 2315401) is N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is Cc1cc(NC(=O)c2cc3c(s2)CCCC3)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is IXELSLVVWLMFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-6-12(15-17-8)14-13(16)11-7-9-4-2-3-5-10(9)18-11/h6-7H,2-5H2,1H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2315401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).