3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole

C19H20N2O4 — CID 3607475

IUPAC3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole
SMILESCCC(Oc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1
InChIInChI=1S/C19H20N2O4/c1-4-15(24-14-8-6-5-7-9-14)19-20-18(21-25-19)13-10-11-16(22-2)17(12-13)23-3/h5-12,15H,4H2,1-3H3
InChIKeyXTSZFNRBCGRTQV-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.28
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole

3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole (PubChem CID 3607475) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole
PubChem CID3607475
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole
SMILESCCC(Oc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1
InChIInChI=1S/C19H20N2O4/c1-4-15(24-14-8-6-5-7-9-14)19-20-18(21-25-19)13-10-11-16(22-2)17(12-13)23-3/h5-12,15H,4H2,1-3H3
InChIKeyXTSZFNRBCGRTQV-UHFFFAOYSA-N
XLogP4.28
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole (CID 3607475) is 3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole is CCC(Oc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole?
The InChIKey is XTSZFNRBCGRTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-15(24-14-8-6-5-7-9-14)19-20-18(21-25-19)13-10-11-16(22-2)17(12-13)23-3/h5-12,15H,4H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole has a molecular weight of 340.38 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(1-phenoxypropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3607475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).