5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole

C27H22N2O — CID 166445081

IUPAC5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole
SMILESCc1ccc(-c2nc(-c3ccc4ccccc4n3)oc2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C27H22N2O/c1-17-8-11-21(12-9-17)25-26(22-13-10-18(2)19(3)16-22)30-27(29-25)24-15-14-20-6-4-5-7-23(20)28-24/h4-16H,1-3H3
InChIKeyRALYNBCHYGFHON-UHFFFAOYSA-N
MW390.49 g/mol
LogP7.15
Rot. Bonds3

About 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole

5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole (PubChem CID 166445081) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole
PubChem CID166445081
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole
SMILESCc1ccc(-c2nc(-c3ccc4ccccc4n3)oc2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C27H22N2O/c1-17-8-11-21(12-9-17)25-26(22-13-10-18(2)19(3)16-22)30-27(29-25)24-15-14-20-6-4-5-7-23(20)28-24/h4-16H,1-3H3
InChIKeyRALYNBCHYGFHON-UHFFFAOYSA-N
XLogP7.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole 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

2-(2,5-dimethylphenyl)quinoline
CID 1202732
2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline
CID 58382612
2-[27-quinolin-2-yl-7,21-bis(2,4,6-trimethylphenyl)-13-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl]quinoline
CID 58569959
2-(6-methylquinolin-2-yl)-4-phenylquinazoline
CID 162351932
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline
CID 54424126
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
CID 59747274
5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole
CID 22081680
5-methyl-2-quinolin-2-ylaniline
CID 116644996
2-(3,4-dimethylphenyl)-3,7-dimethylquinoline
CID 58871250

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole?
The IUPAC name of 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole (CID 166445081) is 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole?
The canonical SMILES for 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole is Cc1ccc(-c2nc(-c3ccc4ccccc4n3)oc2-c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole?
The InChIKey is RALYNBCHYGFHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c1-17-8-11-21(12-9-17)25-26(22-13-10-18(2)19(3)16-22)30-27(29-25)24-15-14-20-6-4-5-7-23(20)28-24/h4-16H,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole?
5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole has a molecular weight of 390.49 g/mol, XLogP of 7.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole is sourced from PubChem (CID 166445081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).