N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide

C13H10N2O2S — CID 16953697

IUPACN-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3sccc3c2)no1
InChIInChI=1S/C13H10N2O2S/c1-8-6-11(15-17-8)13(16)14-10-2-3-12-9(7-10)4-5-18-12/h2-7H,1H3,(H,14,16)
InChIKeyADKRAXSKTINWHT-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.45
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 16953697) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID16953697
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3sccc3c2)no1
InChIInChI=1S/C13H10N2O2S/c1-8-6-11(15-17-8)13(16)14-10-2-3-12-9(7-10)4-5-18-12/h2-7H,1H3,(H,14,16)
InChIKeyADKRAXSKTINWHT-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 16953697) is N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3sccc3c2)no1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ADKRAXSKTINWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-6-11(15-17-8)13(16)14-10-2-3-12-9(7-10)4-5-18-12/h2-7H,1H3,(H,14,16).
What are the key properties of N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16953697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).