5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole

C18H16N2O2 — CID 46043984

IUPAC5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole
SMILESC=CCOc1cccc(-c2noc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C18H16N2O2/c1-3-11-21-16-6-4-5-15(12-16)17-19-18(22-20-17)14-9-7-13(2)8-10-14/h3-10,12H,1,11H2,2H3
InChIKeyQPAVQKDWUGCUJA-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.28
Rot. Bonds5

About 5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole

5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole (PubChem CID 46043984) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole
PubChem CID46043984
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole
SMILESC=CCOc1cccc(-c2noc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C18H16N2O2/c1-3-11-21-16-6-4-5-15(12-16)17-19-18(22-20-17)14-9-7-13(2)8-10-14/h3-10,12H,1,11H2,2H3
InChIKeyQPAVQKDWUGCUJA-UHFFFAOYSA-N
XLogP4.28
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 42851376
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
5-(4-methylphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 877489
2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 45032444
4-[3-[3-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 46044016
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
CID 50755671
3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole (CID 46043984) is 5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole is C=CCOc1cccc(-c2noc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of 5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is QPAVQKDWUGCUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-11-21-16-6-4-5-15(12-16)17-19-18(22-20-17)14-9-7-13(2)8-10-14/h3-10,12H,1,11H2,2H3.
What are the key properties of 5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole?
5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 292.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46043984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).