2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide

C17H16N2O4S — CID 16867606

IUPAC2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2cc(-c3cccs3)on2)c1OC
InChIInChI=1S/C17H16N2O4S/c1-21-13-6-3-5-12(16(13)22-2)17(20)18-10-11-9-14(23-19-11)15-7-4-8-24-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyTYUOQPHQHRRWBH-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.35
Rot. Bonds6

About 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide

2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 16867606) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID16867606
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2cc(-c3cccs3)on2)c1OC
InChIInChI=1S/C17H16N2O4S/c1-21-13-6-3-5-12(16(13)22-2)17(20)18-10-11-9-14(23-19-11)15-7-4-8-24-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyTYUOQPHQHRRWBH-UHFFFAOYSA-N
XLogP3.35
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2,3-dimethoxybenzamide
CID 16866739
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305038
2-(3-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867656
2-(4-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867657
5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867627
3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867616
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide
CID 16867643
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2,3-dimethoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537616
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254242

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide (CID 16867606) is 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide is COc1cccc(C(=O)NCc2cc(-c3cccs3)on2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is TYUOQPHQHRRWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-21-13-6-3-5-12(16(13)22-2)17(20)18-10-11-9-14(23-19-11)15-7-4-8-24-15/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 16867606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).