N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide

C23H23N3O4S — CID 43842792

IUPACN-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2cc(-c3ccc4c(c3)CC(C)O4)on2)sc2c1CCCC2
InChIInChI=1S/C23H23N3O4S/c1-12-9-14-10-13(7-8-17(14)29-12)18-11-16(26-30-18)21(27)25-23-20(22(28)24-2)15-5-3-4-6-19(15)31-23/h7-8,10-12H,3-6,9H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyPOSHEPBTCURAQL-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.22
Rot. Bonds4

About N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide

N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 43842792) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID43842792
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2cc(-c3ccc4c(c3)CC(C)O4)on2)sc2c1CCCC2
InChIInChI=1S/C23H23N3O4S/c1-12-9-14-10-13(7-8-17(14)29-12)18-11-16(26-30-18)21(27)25-23-20(22(28)24-2)15-5-3-4-6-19(15)31-23/h7-8,10-12H,3-6,9H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyPOSHEPBTCURAQL-UHFFFAOYSA-N
XLogP4.22
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide (CID 43842792) is N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide is CNC(=O)c1c(NC(=O)c2cc(-c3ccc4c(c3)CC(C)O4)on2)sc2c1CCCC2.
What is the InChIKey of N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is POSHEPBTCURAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-12-9-14-10-13(7-8-17(14)29-12)18-11-16(26-30-18)21(27)25-23-20(22(28)24-2)15-5-3-4-6-19(15)31-23/h7-8,10-12H,3-6,9H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide?
N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43842792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).