N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

C17H16N4O4S — CID 139011651

IUPACN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C17H16N4O4S/c1-10-15(20-17(25-10)11-7-18-21(2)8-11)16(22)19-13-9-26(23,24)14-6-4-3-5-12(13)14/h3-8,13H,9H2,1-2H3,(H,19,22)
InChIKeyOVMWAIHSTRJOHX-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.64
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 139011651) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID139011651
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C17H16N4O4S/c1-10-15(20-17(25-10)11-7-18-21(2)8-11)16(22)19-13-9-26(23,24)14-6-4-3-5-12(13)14/h3-8,13H,9H2,1-2H3,(H,19,22)
InChIKeyOVMWAIHSTRJOHX-UHFFFAOYSA-N
XLogP1.64
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 139011651) is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is OVMWAIHSTRJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-10-15(20-17(25-10)11-7-18-21(2)8-11)16(22)19-13-9-26(23,24)14-6-4-3-5-12(13)14/h3-8,13H,9H2,1-2H3,(H,19,22).
What are the key properties of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139011651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).