N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H14N2O3S — CID 3243936

IUPACN-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C16H14N2O3S/c1-20-12-6-4-11(5-7-12)10-17-16(19)13-9-14(21-18-13)15-3-2-8-22-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeyVMIXDUCQLATRIM-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.34
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3243936) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3243936
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C16H14N2O3S/c1-20-12-6-4-11(5-7-12)10-17-16(19)13-9-14(21-18-13)15-3-2-8-22-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeyVMIXDUCQLATRIM-UHFFFAOYSA-N
XLogP3.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3243936) is N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cccs3)on2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VMIXDUCQLATRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-12-6-4-11(5-7-12)10-17-16(19)13-9-14(21-18-13)15-3-2-8-22-15/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).