N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C25H31N3O7 — CID 15989863

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2nnc(Cc3cc(OC)c(OC)c(OC)c3)o2)cc1OCC
InChIInChI=1S/C25H31N3O7/c1-6-33-18-9-8-16(12-19(18)34-7-2)10-11-26-24(29)25-28-27-22(35-25)15-17-13-20(30-3)23(32-5)21(14-17)31-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H,26,29)
InChIKeyZSMZYUWTXVSIBV-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.46
Rot. Bonds13

About N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 15989863) has the molecular formula C25H31N3O7 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID15989863
Molecular FormulaC25H31N3O7
Molecular Weight485.54 g/mol
Exact Mass485.22
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2nnc(Cc3cc(OC)c(OC)c(OC)c3)o2)cc1OCC
InChIInChI=1S/C25H31N3O7/c1-6-33-18-9-8-16(12-19(18)34-7-2)10-11-26-24(29)25-28-27-22(35-25)15-17-13-20(30-3)23(32-5)21(14-17)31-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H,26,29)
InChIKeyZSMZYUWTXVSIBV-UHFFFAOYSA-N
XLogP3.46
TPSA114.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 15989863) is N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is CCOc1ccc(CCNC(=O)c2nnc(Cc3cc(OC)c(OC)c(OC)c3)o2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ZSMZYUWTXVSIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O7/c1-6-33-18-9-8-16(12-19(18)34-7-2)10-11-26-24(29)25-28-27-22(35-25)15-17-13-20(30-3)23(32-5)21(14-17)31-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H,26,29).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 3.46, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 15989863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).