3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole

C19H20N2O5 — CID 2203125

IUPAC3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(O[C@@H](C)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1
InChIInChI=1S/C19H20N2O5/c1-12(25-15-8-6-14(22-2)7-9-15)19-20-18(21-26-19)13-5-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3/t12-/m0/s1
InChIKeyKOVRQMZJTZYAGZ-LBPRGKRZSA-N
MW356.38 g/mol
LogP3.90
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole

3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole (PubChem CID 2203125) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
PubChem CID2203125
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(O[C@@H](C)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1
InChIInChI=1S/C19H20N2O5/c1-12(25-15-8-6-14(22-2)7-9-15)19-20-18(21-26-19)13-5-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3/t12-/m0/s1
InChIKeyKOVRQMZJTZYAGZ-LBPRGKRZSA-N
XLogP3.90
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 7321005
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 7385204
(2S)-2-amino-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 93251327
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
CID 19658029

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole (CID 2203125) is 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole is COc1ccc(O[C@@H](C)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole?
The InChIKey is KOVRQMZJTZYAGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12(25-15-8-6-14(22-2)7-9-15)19-20-18(21-26-19)13-5-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3/t12-/m0/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole has a molecular weight of 356.38 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2203125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).