2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole

C20H26N4O3 — CID 19542577

IUPAC2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCCOc1ccc(Cc2nnc(CCn3nc(C)cc3C)o2)cc1OCC
InChIInChI=1S/C20H26N4O3/c1-5-25-17-8-7-16(12-18(17)26-6-2)13-20-22-21-19(27-20)9-10-24-15(4)11-14(3)23-24/h7-8,11-12H,5-6,9-10,13H2,1-4H3
InChIKeyCPCUFMDUINMERJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.51
Rot. Bonds9

About 2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole

2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 19542577) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
PubChem CID19542577
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCCOc1ccc(Cc2nnc(CCn3nc(C)cc3C)o2)cc1OCC
InChIInChI=1S/C20H26N4O3/c1-5-25-17-8-7-16(12-18(17)26-6-2)13-20-22-21-19(27-20)9-10-24-15(4)11-14(3)23-24/h7-8,11-12H,5-6,9-10,13H2,1-4H3
InChIKeyCPCUFMDUINMERJ-UHFFFAOYSA-N
XLogP3.51
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole
CID 91508978
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(3-nitropyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 19550634
2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19552523
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylguanidine
CID 111279997
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole
CID 19542141
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole
CID 19542447
3-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-4-amine
CID 19554452
2-[(3,4-diethoxyphenyl)methyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542580
5-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-2-methyltetrazole
CID 107044026
3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 78804390
1,2-diethoxy-4-propylbenzene
CID 3995471
6-[[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol
CID 139572241

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole (CID 19542577) is 2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole is CCOc1ccc(Cc2nnc(CCn3nc(C)cc3C)o2)cc1OCC.
What is the InChIKey of 2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is CPCUFMDUINMERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-25-17-8-7-16(12-18(17)26-6-2)13-20-22-21-19(27-20)9-10-24-15(4)11-14(3)23-24/h7-8,11-12H,5-6,9-10,13H2,1-4H3.
What are the key properties of 2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 370.45 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxyphenyl)methyl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19542577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).