5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole

C18H18N2O — CID 102236251

IUPAC5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cccc(C(C)Cc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C18H18N2O/c1-13-7-6-10-16(11-13)14(2)12-17-19-18(20-21-17)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3
InChIKeyWPSHOYZORLHAKZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.39
Rot. Bonds4

About 5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole

5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 102236251) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID102236251
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cccc(C(C)Cc2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C18H18N2O/c1-13-7-6-10-16(11-13)14(2)12-17-19-18(20-21-17)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3
InChIKeyWPSHOYZORLHAKZ-UHFFFAOYSA-N
XLogP4.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347445
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
2-(3-methylphenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153559
1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63344995
2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072848
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345084
4-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79126709
5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 752713
5-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 9266357
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 6462939
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione
CID 17380564

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole (CID 102236251) is 5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole is Cc1cccc(C(C)Cc2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is WPSHOYZORLHAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-7-6-10-16(11-13)14(2)12-17-19-18(20-21-17)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3.
What are the key properties of 5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole?
5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 278.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 102236251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).