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

C17H16N2O4S — CID 5308138

IUPAC5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccs3)no2)cc1OC
InChIInChI=1S/C17H16N2O4S/c1-21-14-6-5-11(8-16(14)22-2)15-9-13(19-23-15)17(20)18-10-12-4-3-7-24-12/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyKOPCCOKBYXAIDC-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.35
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 5308138) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID5308138
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccs3)no2)cc1OC
InChIInChI=1S/C17H16N2O4S/c1-21-14-6-5-11(8-16(14)22-2)15-9-13(19-23-15)17(20)18-10-12-4-3-7-24-12/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyKOPCCOKBYXAIDC-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

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305038
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]naphthalene-2-carboxamide
CID 16867283
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253
5-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 15999607
4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867237
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3708224
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61093193

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 5308138) is 5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccs3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KOPCCOKBYXAIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-21-14-6-5-11(8-16(14)22-2)15-9-13(19-23-15)17(20)18-10-12-4-3-7-24-12/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide 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 5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).