3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole

C82H71N11O2 — CID 90952868

About 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole

3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole (PubChem CID 90952868) has the molecular formula C82H71N11O2 and a molecular weight of 1242.54 g/mol. Its IUPAC name is 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
• PubChem CID: 90952868
• Molecular Formula: C82H71N11O2
• Molecular Weight: 1242.54 g/mol
• Exact Mass: 1241.58
• IUPAC Name: 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
• SMILES: C/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1ccc(-c2nnc(C)n2-c2ccccc2)cc1.Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1
• InChI: InChI=1S/C21H17N3.C18H15NO.C16H15N3.C15H13N3.C12H11NO/c1-16-22-23-21(24(16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-12-8-10-14(11-9-12)16-18-17-13(2)19(16)15-6-4-3-5-7-15;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10/h2-15H,1H3;2-13H,1H3;3-11H,1-2H3;2-11H,1H3;2-9H,1H3/b;6-2+;;;6-2+
• InChIKey: DFHHYXQUNMWLBF-FGAYIBPQSA-N
• XLogP: 20.12
• TPSA: 144.19 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1242.54
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole?

The IUPAC name of 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole (CID 90952868) is 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole.

What is the SMILES notation for 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole?

The canonical SMILES for 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole is C/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1ccc(-c2nnc(C)n2-c2ccccc2)cc1.Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.

What is the InChIKey of 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole?

The InChIKey is DFHHYXQUNMWLBF-FGAYIBPQSA-N. The full InChI is InChI=1S/C21H17N3.C18H15NO.C16H15N3.C15H13N3.C12H11NO/c1-16-22-23-21(24(16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-12-8-10-14(11-9-12)16-18-17-13(2)19(16)15-6-4-3-5-7-15;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10/h2-15H,1H3;2-13H,1H3;3-11H,1-2H3;2-11H,1H3;2-9H,1H3/b;6-2+;;;6-2+.

What are the key properties of 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole?

3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole has a molecular weight of 1242.54 g/mol, XLogP of 20.12, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 90952868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).