2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene

C43H43N3O — CID 157157668

IUPAC2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene
SMILESCN(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccccc1
InChIInChI=1S/C13H13N.C13H12.C10H10N2O.C7H8/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;1-7-5-3-2-4-6-7/h2-11H,1H3;2-10H,1H3;3-6H,1-2H3;2-6H,1H3
InChIKeyALZUBLVJILIICB-UHFFFAOYSA-N
MW617.84 g/mol
LogP11.46
Rot. Bonds4

About 2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene

2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene (PubChem CID 157157668) has the molecular formula C43H43N3O and a molecular weight of 617.84 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene
PubChem CID157157668
Molecular FormulaC43H43N3O
Molecular Weight617.84 g/mol
Exact Mass617.34
IUPAC Name2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene
SMILESCN(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccccc1
InChIInChI=1S/C13H13N.C13H12.C10H10N2O.C7H8/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;1-7-5-3-2-4-6-7/h2-11H,1H3;2-10H,1H3;3-6H,1-2H3;2-6H,1H3
InChIKeyALZUBLVJILIICB-UHFFFAOYSA-N
XLogP11.46
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
CID 58151391
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline
CID 23593074
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene (CID 157157668) is 2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene is CN(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccccc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene?
The InChIKey is ALZUBLVJILIICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C13H12.C10H10N2O.C7H8/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;1-7-5-3-2-4-6-7/h2-11H,1H3;2-10H,1H3;3-6H,1-2H3;2-6H,1H3.
What are the key properties of 2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene?
2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene has a molecular weight of 617.84 g/mol, XLogP of 11.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene is sourced from PubChem (CID 157157668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).