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

C24H28N2O6 — CID 20963521

IUPAC5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C24H28N2O6/c1-5-29-19-12-16(13-20(30-6-2)23(19)31-7-3)14-25-24(27)21-22(32-15-26-21)17-8-10-18(28-4)11-9-17/h8-13,15H,5-7,14H2,1-4H3,(H,25,27)
InChIKeyKESODISIYIYWQQ-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.48
Rot. Bonds11

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

5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 20963521) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID20963521
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C24H28N2O6/c1-5-29-19-12-16(13-20(30-6-2)23(19)31-7-3)14-25-24(27)21-22(32-15-26-21)17-8-10-18(28-4)11-9-17/h8-13,15H,5-7,14H2,1-4H3,(H,25,27)
InChIKeyKESODISIYIYWQQ-UHFFFAOYSA-N
XLogP4.48
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Difamilast
CID 57855696
(2-Phenyl-4-oxazolyl)(3,4,5-trimethoxyphenyl)methanone
CID 53363700
5-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 664338
2-Methoxy-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-yl]-phenylamine
CID 11100369
1-[[2-(2,4-Dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 16027846
N-benzyl-5-(4-methoxyphenyl)oxazole-4-carboxamide
CID 20963524
5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-1,3-oxazole-4-carboxamide
CID 57391298
5-(4-methoxyphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 57393077
N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 57396561
3-methoxy-4-oxazol-5-yl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 73349417
n-[2-(3-Cyclopentyloxy-4-methoxyphenyl)oxazol-4-ylmethyl]-3-methylpicolinamide
CID 16070077
n-[2-(4-Difluoromethoxy-3-isobutoxy phenyl)oxazol-4-ylmethyl]-3-methylpicolinamide
CID 25142023

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 20963521) is 5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide is CCOc1cc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)cc(OCC)c1OCC.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KESODISIYIYWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-5-29-19-12-16(13-20(30-6-2)23(19)31-7-3)14-25-24(27)21-22(32-15-26-21)17-8-10-18(28-4)11-9-17/h8-13,15H,5-7,14H2,1-4H3,(H,25,27).
What are the key properties of 5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).