N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H14N2O4S — CID 17253071

IUPACN-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccs3)on2)c(OC)c1
InChIInChI=1S/C16H14N2O4S/c1-20-10-5-6-11(13(8-10)21-2)17-16(19)12-9-14(22-18-12)15-4-3-7-23-15/h3-9H,1-2H3,(H,17,19)
InChIKeyZZGDBDORHZQPAU-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.67
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17253071) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17253071
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccs3)on2)c(OC)c1
InChIInChI=1S/C16H14N2O4S/c1-20-10-5-6-11(13(8-10)21-2)17-16(19)12-9-14(22-18-12)15-4-3-7-23-15/h3-9H,1-2H3,(H,17,19)
InChIKeyZZGDBDORHZQPAU-UHFFFAOYSA-N
XLogP3.67
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17253071) is N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccs3)on2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ZZGDBDORHZQPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-20-10-5-6-11(13(8-10)21-2)17-16(19)12-9-14(22-18-12)15-4-3-7-23-15/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).