3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide

C14H11ClN2O2S — CID 887251

IUPAC3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)Nc3cc(C)on3)sc2c1
InChIInChI=1S/C14H11ClN2O2S/c1-7-3-4-9-10(5-7)20-13(12(9)15)14(18)16-11-6-8(2)19-17-11/h3-6H,1-2H3,(H,16,17,18)
InChIKeyUWKJYNUZSGZKNT-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.41
Rot. Bonds2

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

3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 887251) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID887251
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)Nc3cc(C)on3)sc2c1
InChIInChI=1S/C14H11ClN2O2S/c1-7-3-4-9-10(5-7)20-13(12(9)15)14(18)16-11-6-8(2)19-17-11/h3-6H,1-2H3,(H,16,17,18)
InChIKeyUWKJYNUZSGZKNT-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide (CID 887251) is 3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide is Cc1ccc2c(Cl)c(C(=O)Nc3cc(C)on3)sc2c1.
What is the InChIKey of 3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is UWKJYNUZSGZKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-7-3-4-9-10(5-7)20-13(12(9)15)14(18)16-11-6-8(2)19-17-11/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide?
3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 306.77 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 887251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).