2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole

C69H63N11O2 — CID 161145362

IUPAC2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole
SMILESCc1cc(-c2ccccc2)nn1-c1ccccc1.Cc1cccc(-c2nccn2-c2ccccc2)c1.Cc1cnc(-c2ccccc2)n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nccn1-c1ccccc1.Cc1nnco1
InChIInChI=1S/3C16H14N2.C10H10N2.C8H7NO.C3H4N2O/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;1-13-12-16(14-8-4-2-5-9-14)17-18(13)15-10-6-3-7-11-15;1-13-6-5-7-14(12-13)16-17-10-11-18(16)15-8-3-2-4-9-15;1-9-11-7-8-12(9)10-5-3-2-4-6-10;1-6-9-7-4-2-3-5-8(7)10-6;1-3-5-4-2-6-3/h3*2-12H,1H3;2-8H,1H3;2-5H,1H3;2H,1H3
InChIKeyUNZBZYZXIHOKCT-UHFFFAOYSA-N
MW1078.34 g/mol
LogP16.24
Rot. Bonds7

About 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole

2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole (PubChem CID 161145362) has the molecular formula C69H63N11O2 and a molecular weight of 1078.34 g/mol. Its IUPAC name is 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole.

Molecular Properties

Compound Name2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole
PubChem CID161145362
Molecular FormulaC69H63N11O2
Molecular Weight1078.34 g/mol
Exact Mass1077.52
IUPAC Name2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole
SMILESCc1cc(-c2ccccc2)nn1-c1ccccc1.Cc1cccc(-c2nccn2-c2ccccc2)c1.Cc1cnc(-c2ccccc2)n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nccn1-c1ccccc1.Cc1nnco1
InChIInChI=1S/3C16H14N2.C10H10N2.C8H7NO.C3H4N2O/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;1-13-12-16(14-8-4-2-5-9-14)17-18(13)15-10-6-3-7-11-15;1-13-6-5-7-14(12-13)16-17-10-11-18(16)15-8-3-2-4-9-15;1-9-11-7-8-12(9)10-5-3-2-4-6-10;1-6-9-7-4-2-3-5-8(7)10-6;1-3-5-4-2-6-3/h3*2-12H,1H3;2-8H,1H3;2-5H,1H3;2H,1H3
InChIKeyUNZBZYZXIHOKCT-UHFFFAOYSA-N
XLogP16.24
TPSA136.23 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001078.34
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole?
The IUPAC name of 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole (CID 161145362) is 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole.
What is the SMILES notation for 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole?
The canonical SMILES for 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole is Cc1cc(-c2ccccc2)nn1-c1ccccc1.Cc1cccc(-c2nccn2-c2ccccc2)c1.Cc1cnc(-c2ccccc2)n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nccn1-c1ccccc1.Cc1nnco1.
What is the InChIKey of 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole?
The InChIKey is UNZBZYZXIHOKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H14N2.C10H10N2.C8H7NO.C3H4N2O/c1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;1-13-12-16(14-8-4-2-5-9-14)17-18(13)15-10-6-3-7-11-15;1-13-6-5-7-14(12-13)16-17-10-11-18(16)15-8-3-2-4-9-15;1-9-11-7-8-12(9)10-5-3-2-4-6-10;1-6-9-7-4-2-3-5-8(7)10-6;1-3-5-4-2-6-3/h3*2-12H,1H3;2-8H,1H3;2-5H,1H3;2H,1H3.
What are the key properties of 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole?
2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole has a molecular weight of 1078.34 g/mol, XLogP of 16.24, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;5-methyl-1,3-diphenylpyrazole;2-methyl-1,3,4-oxadiazole;2-methyl-1-phenylimidazole;2-(3-methylphenyl)-1-phenylimidazole is sourced from PubChem (CID 161145362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).