2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole

C21H19NO — CID 177468889

IUPAC2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole
SMILESCc1ccc(C2(C)Oc3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-16-12-14-17(15-13-16)21(2)22(18-8-4-3-5-9-18)19-10-6-7-11-20(19)23-21/h3-15H,1-2H3
InChIKeyUWQBUDNZEOJESH-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.40
Rot. Bonds2

About 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole

2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole (PubChem CID 177468889) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole
PubChem CID177468889
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole
SMILESCc1ccc(C2(C)Oc3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-16-12-14-17(15-13-16)21(2)22(18-8-4-3-5-9-18)19-10-6-7-11-20(19)23-21/h3-15H,1-2H3
InChIKeyUWQBUDNZEOJESH-UHFFFAOYSA-N
XLogP5.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one
CID 1038366
3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol
CID 10633909
5-methyl-1-(4-methylphenyl)-5-phenyl-4H-imidazol-2-amine
CID 79504873
3',3'-dimethyl-1'-phenylspiro[chromene-2,2'-indole]
CID 16638566
(5R,10bR)-5-(4-chlorophenyl)-5-methyl-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 124815307
3,3-bis(4-methylphenyl)-5,5-diphenyldioxolane
CID 14493901
2-methyl-4-phenyl-1,4-benzoxazine
CID 148646121
5-methyl-1-(3-methylphenyl)-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79500241
(1R,9S)-9-methyl-10-(4-methylphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
CID 98168147
14-(4-methylphenyl)phenanthro[9,10-b][1,4]benzoxazine
CID 154946621
2-[2-(2-methylprop-2-enoxy)phenyl]-2,3-diphenyl-1,3-benzoxazole
CID 177492226
benzene;bis(1,4-xylene)
CID 159472747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole?
The IUPAC name of 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole (CID 177468889) is 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole is Cc1ccc(C2(C)Oc3ccccc3N2c2ccccc2)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole?
The InChIKey is UWQBUDNZEOJESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-16-12-14-17(15-13-16)21(2)22(18-8-4-3-5-9-18)19-10-6-7-11-20(19)23-21/h3-15H,1-2H3.
What are the key properties of 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole?
2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole has a molecular weight of 301.39 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole is sourced from PubChem (CID 177468889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).