4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole

C19H22N2O — CID 15257620

IUPAC4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole
SMILESCc1ccc(C2ON=C(c3ccccc3)N2C(C)(C)C)cc1
InChIInChI=1S/C19H22N2O/c1-14-10-12-16(13-11-14)18-21(19(2,3)4)17(20-22-18)15-8-6-5-7-9-15/h5-13,18H,1-4H3
InChIKeyQUXXUAYENGUNMK-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.49
Rot. Bonds2

About 4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole

4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole (PubChem CID 15257620) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole
PubChem CID15257620
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole
SMILESCc1ccc(C2ON=C(c3ccccc3)N2C(C)(C)C)cc1
InChIInChI=1S/C19H22N2O/c1-14-10-12-16(13-11-14)18-21(19(2,3)4)17(20-22-18)15-8-6-5-7-9-15/h5-13,18H,1-4H3
InChIKeyQUXXUAYENGUNMK-UHFFFAOYSA-N
XLogP4.49
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyl-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 7113042
4-(1-Adamantyl)-3-phenyl-5-(4-cyanophenyl)-4,5-dihydro-1,2,4-oxadiazole
CID 378752
4-(1-Adamantyl)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 378744
4-(1-Adamantyl)-3-phenyl-5-(3-fluorophenyl)-4,5-dihydro-1,2,4-oxadiazole
CID 378745
4-(1-Adamantyl)-3-phenyl-5-(3-methylphenyl)-4,5-dihydro-1,2,4-oxadiazole
CID 378749
4-(1-Adamantyl)-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2,4-oxadiazole
CID 378750
4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 15257616
4-tert-butyl-3-methyl-5-phenyl-5H-1,2,4-oxadiazole
CID 15257621
4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12674725
5-Benzyl-4-butyl-3-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 89515446
5-Benzyl-3-(2-fluorophenyl)-5-methyl-4-(2-methylpropyl)-1,2,4-oxadiazole
CID 89515672
3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine
CID 174888085

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole (CID 15257620) is 4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole is Cc1ccc(C2ON=C(c3ccccc3)N2C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole?
The InChIKey is QUXXUAYENGUNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-10-12-16(13-11-14)18-21(19(2,3)4)17(20-22-18)15-8-6-5-7-9-15/h5-13,18H,1-4H3.
What are the key properties of 4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole?
4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole has a molecular weight of 294.40 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 15257620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).