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

C21H22N2O5 — CID 20963592

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C21H22N2O5/c1-4-27-18-11-14(5-10-17(18)26-3)12-22-21(24)19-20(28-13-23-19)15-6-8-16(25-2)9-7-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyJSVOOYAUPDCOIH-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.69
Rot. Bonds8

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

N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 20963592) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID20963592
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C21H22N2O5/c1-4-27-18-11-14(5-10-17(18)26-3)12-22-21(24)19-20(28-13-23-19)15-6-8-16(25-2)9-7-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyJSVOOYAUPDCOIH-UHFFFAOYSA-N
XLogP3.69
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347296
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676
5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963569
N-[(2-ethoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963591
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111781846
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57401810
3-(4-butoxyphenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71822352
ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 176672630
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 46949198
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051635
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 20963592) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is CCOc1cc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JSVOOYAUPDCOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-4-27-18-11-14(5-10-17(18)26-3)12-22-21(24)19-20(28-13-23-19)15-6-8-16(25-2)9-7-15/h5-11,13H,4,12H2,1-3H3,(H,22,24).
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.69, 8 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-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).