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

C22H25N3O5 — CID 16765617

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2nc(-c3ccc(OC)cc3)no2)cc1OCC
InChIInChI=1S/C22H25N3O5/c1-4-28-18-11-6-15(14-19(18)29-5-2)12-13-23-21(26)22-24-20(25-30-22)16-7-9-17(27-3)10-8-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)
InChIKeyJSYSKBJVAVNWAP-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.52
Rot. Bonds10

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

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16765617) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID16765617
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2nc(-c3ccc(OC)cc3)no2)cc1OCC
InChIInChI=1S/C22H25N3O5/c1-4-28-18-11-6-15(14-19(18)29-5-2)12-13-23-21(26)22-24-20(25-30-22)16-7-9-17(27-3)10-8-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)
InChIKeyJSYSKBJVAVNWAP-UHFFFAOYSA-N
XLogP3.52
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 16765831
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581201
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 110788878
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
3-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083235
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 26120273
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 18206885
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918168
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 42535852
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134030458

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 16765617) is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide is CCOc1ccc(CCNC(=O)c2nc(-c3ccc(OC)cc3)no2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is JSYSKBJVAVNWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-4-28-18-11-6-15(14-19(18)29-5-2)12-13-23-21(26)22-24-20(25-30-22)16-7-9-17(27-3)10-8-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16765617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).