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

C18H18N2O — CID 885527

IUPAC3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCCc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N2O/c1-14-10-12-16(13-11-14)18-19-17(21-20-18)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyYMVLRXDOIJZERM-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.22
Rot. Bonds5

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

3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole (PubChem CID 885527) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole
PubChem CID885527
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CCCc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N2O/c1-14-10-12-16(13-11-14)18-19-17(21-20-18)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyYMVLRXDOIJZERM-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole (CID 885527) is 3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CCCc3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole?
The InChIKey is YMVLRXDOIJZERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-10-12-16(13-11-14)18-19-17(21-20-18)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole has a molecular weight of 278.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 885527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).