3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole

C17H18N2O3 — CID 173054294

IUPAC3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole
SMILESCCOc1ccc(N2COC(c3cccc(OC)c3)=N2)cc1
InChIInChI=1S/C17H18N2O3/c1-3-21-15-9-7-14(8-10-15)19-12-22-17(18-19)13-5-4-6-16(11-13)20-2/h4-11H,3,12H2,1-2H3
InChIKeyINDKARDFJWWDKC-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.25
Rot. Bonds5

About 3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole

3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole (PubChem CID 173054294) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole
PubChem CID173054294
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole
SMILESCCOc1ccc(N2COC(c3cccc(OC)c3)=N2)cc1
InChIInChI=1S/C17H18N2O3/c1-3-21-15-9-7-14(8-10-15)19-12-22-17(18-19)13-5-4-6-16(11-13)20-2/h4-11H,3,12H2,1-2H3
InChIKeyINDKARDFJWWDKC-UHFFFAOYSA-N
XLogP3.25
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyphenyl)-3-ethylsulfanyl-5-(3-methoxyphenyl)-1,2,4-triazole
CID 2087868
1-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
CID 18880303
(5S,10bR)-7-ethoxy-5-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42455708
4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole
CID 7571326
methyl 2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 2521065
1-[(3R)-3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 93228669
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23988869
2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655825
(2R)-2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one
CID 7814624
2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 42973810

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole?
The IUPAC name of 3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole (CID 173054294) is 3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole is CCOc1ccc(N2COC(c3cccc(OC)c3)=N2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole?
The InChIKey is INDKARDFJWWDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-21-15-9-7-14(8-10-15)19-12-22-17(18-19)13-5-4-6-16(11-13)20-2/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole?
3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole has a molecular weight of 298.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole is sourced from PubChem (CID 173054294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).