N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide

C25H27N5O6 — CID 15988590

IUPACN-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(Cc3nc(-c4cc(OC)c(OC)c(OC)c4)oc3C)c2C)cc1
InChIInChI=1S/C25H27N5O6/c1-14-22(24(31)26-17-7-9-18(32-3)10-8-17)28-29-30(14)13-19-15(2)36-25(27-19)16-11-20(33-4)23(35-6)21(12-16)34-5/h7-12H,13H2,1-6H3,(H,26,31)
InChIKeyRJIPYEZPGDNREA-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.88
Rot. Bonds9

About N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide

N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide (PubChem CID 15988590) has the molecular formula C25H27N5O6 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
PubChem CID15988590
Molecular FormulaC25H27N5O6
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC NameN-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(Cc3nc(-c4cc(OC)c(OC)c(OC)c4)oc3C)c2C)cc1
InChIInChI=1S/C25H27N5O6/c1-14-22(24(31)26-17-7-9-18(32-3)10-8-17)28-29-30(14)13-19-15(2)36-25(27-19)16-11-20(33-4)23(35-6)21(12-16)34-5/h7-12H,13H2,1-6H3,(H,26,31)
InChIKeyRJIPYEZPGDNREA-UHFFFAOYSA-N
XLogP3.88
TPSA122.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide (CID 15988590) is N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide is COc1ccc(NC(=O)c2nnn(Cc3nc(-c4cc(OC)c(OC)c(OC)c4)oc3C)c2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide?
The InChIKey is RJIPYEZPGDNREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O6/c1-14-22(24(31)26-17-7-9-18(32-3)10-8-17)28-29-30(14)13-19-15(2)36-25(27-19)16-11-20(33-4)23(35-6)21(12-16)34-5/h7-12H,13H2,1-6H3,(H,26,31).
What are the key properties of N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide?
N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methyl-1-[[5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 15988590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).