3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole

C18H18N2O2 — CID 2923172

IUPAC3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1ccccc1)c1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C18H18N2O2/c1-3-16(13-7-5-4-6-8-13)18-19-17(20-22-18)14-9-11-15(21-2)12-10-14/h4-12,16H,3H2,1-2H3
InChIKeyYNKTUNPCQLERCH-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.29
Rot. Bonds5

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

3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole (PubChem CID 2923172) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
PubChem CID2923172
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1ccccc1)c1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C18H18N2O2/c1-3-16(13-7-5-4-6-8-13)18-19-17(20-22-18)14-9-11-15(21-2)12-10-14/h4-12,16H,3H2,1-2H3
InChIKeyYNKTUNPCQLERCH-UHFFFAOYSA-N
XLogP4.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole
CID 803156
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 803925
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874
2-amino-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167737
N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348679
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884702
5-(1-phenylpropyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944290
2-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]isoindole-1,3-dione
CID 42563753

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole (CID 2923172) is 3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole is CCC(c1ccccc1)c1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole?
The InChIKey is YNKTUNPCQLERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-16(13-7-5-4-6-8-13)18-19-17(20-22-18)14-9-11-15(21-2)12-10-14/h4-12,16H,3H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole has a molecular weight of 294.35 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2923172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).