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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole

C70H60N10O — CID 91230797

IUPAC3-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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
SMILESC/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.Cc1ccc(-c2nnc(C)n2-c2ccccc2)cc1.Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C21H17N3.C18H15NO.C16H15N3.C15H13N3/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/h2-15H,1H3;2-13H,1H3;3-11H,1-2H3;2-11H,1H3/b;6-2+;;
InChIKeyQOGTWVZYVXQAPO-IYPQHCRLSA-N
MW1057.32 g/mol
LogP16.75
Rot. Bonds10

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-[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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole (PubChem CID 91230797) has the molecular formula C70H60N10O and a molecular weight of 1057.32 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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name3-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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
PubChem CID91230797
Molecular FormulaC70H60N10O
Molecular Weight1057.32 g/mol
Exact Mass1056.50
IUPAC Name3-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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
SMILESC/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.Cc1ccc(-c2nnc(C)n2-c2ccccc2)cc1.Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C21H17N3.C18H15NO.C16H15N3.C15H13N3/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/h2-15H,1H3;2-13H,1H3;3-11H,1-2H3;2-11H,1H3/b;6-2+;;
InChIKeyQOGTWVZYVXQAPO-IYPQHCRLSA-N
XLogP16.75
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001057.32
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole with MolForge

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Related Compounds

5-(4-Fluorophenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 4855220
5-(2-Fluoro-4-methylphenyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazole
CID 177649079
5-[4-[[4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-methylphenyl]-2-methyl-1,3-oxazole
CID 157269511
5-[4-[[4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]-2-fluorophenyl]-2-methyl-1,3-oxazole
CID 157367657
5-[4-[[4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]phenyl]-2-methyl-1,3-oxazole
CID 161872687
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
2-[4-[(3-Decylimidazol-1-ium-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazole;2-[4-[(3-dodecylimidazol-1-ium-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazole;5-phenyl-2-[4-[(3-tetradecylimidazol-1-ium-1-yl)methyl]phenyl]-1,3-oxazole;tribromide
CID 141626933
2-[(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]isoindole-1,3-dione
CID 156470883
2-[2-[3-[6-[5-(2-Methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]isoindole-1,3-dione
CID 156470884
5-Phenyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-oxazole
CID 156470892
2-(4-Anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 157125544
iodomethane;2-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-5-(2-methylphenyl)-1,3-oxazole;(2R)-2-[3-[6-[5-(2-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propan-1-ol;oxolane
CID 157136825

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-[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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole (CID 91230797) 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-[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-[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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole is C/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole?
The InChIKey is QOGTWVZYVXQAPO-IYPQHCRLSA-N. The full InChI is InChI=1S/C21H17N3.C18H15NO.C16H15N3.C15H13N3/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/h2-15H,1H3;2-13H,1H3;3-11H,1-2H3;2-11H,1H3/b;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-[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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole has a molecular weight of 1057.32 g/mol, XLogP of 16.75, 10 rotatable bonds, 0 hydrogen bond donors, and 11 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-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 91230797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).