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

C19H20N2O4S — CID 46347296

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2ncoc2-c2ccc(C)s2)ccc1OC
InChIInChI=1S/C19H20N2O4S/c1-4-24-15-9-13(6-7-14(15)23-3)10-20-19(22)17-18(25-11-21-17)16-8-5-12(2)26-16/h5-9,11H,4,10H2,1-3H3,(H,20,22)
InChIKeyUXIRQCIMPUJXLV-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.05
Rot. Bonds7

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

N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 46347296) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID46347296
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2ncoc2-c2ccc(C)s2)ccc1OC
InChIInChI=1S/C19H20N2O4S/c1-4-24-15-9-13(6-7-14(15)23-3)10-20-19(22)17-18(25-11-21-17)16-8-5-12(2)26-16/h5-9,11H,4,10H2,1-3H3,(H,20,22)
InChIKeyUXIRQCIMPUJXLV-UHFFFAOYSA-N
XLogP4.05
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963592
N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347301
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46921237
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46921220
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide
CID 110679842
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668407
3-ethoxy-4-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24570098
1-(4-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858312

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (CID 46347296) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is CCOc1cc(CNC(=O)c2ncoc2-c2ccc(C)s2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is UXIRQCIMPUJXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-4-24-15-9-13(6-7-14(15)23-3)10-20-19(22)17-18(25-11-21-17)16-8-5-12(2)26-16/h5-9,11H,4,10H2,1-3H3,(H,20,22).
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).