5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole

C22H17N3O2 — CID 141414017

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole
SMILESCc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2ncoc12
InChIInChI=1S/C22H17N3O2/c1-12-6-7-18-16(5-4-8-23-18)20(12)17-9-15(10-19-22(17)26-11-24-19)21-13(2)25-27-14(21)3/h4-11H,1-3H3
InChIKeyIEJBSODSTJRGIS-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.62
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole

5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole (PubChem CID 141414017) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole
PubChem CID141414017
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole
SMILESCc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2ncoc12
InChIInChI=1S/C22H17N3O2/c1-12-6-7-18-16(5-4-8-23-18)20(12)17-9-15(10-19-22(17)26-11-24-19)21-13(2)25-27-14(21)3/h4-11H,1-3H3
InChIKeyIEJBSODSTJRGIS-UHFFFAOYSA-N
XLogP5.62
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-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

2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
2-Benzyl-5-(1-methylindol-5-yl)-1,3-benzoxazole
CID 90668306
5,7-Di-tert-butyl-2-pyridin-3-yl-benzooxazole
CID 1222503
3-Benzooxazol-2-ylquinoline
CID 12513785
Oxazoloisoquinoline
CID 66932874
1,3-Bis(2-(quinolin-6-yl)benzo[d]oxazol-5-yl)benzene
CID 86724828
5-(9,9-Dimethyl-9h-fluoren-2-yl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90256961
Oxazolo [5,4-c]pyrido [3,4-g]-carbazole
CID 129695484
Benzoxazolophenanthridine
CID 129723909
9-Benzhydryloxy-5-(3,5-dimethyl-isoxazolyl)-7-(4-fluoro-benzyl)-6,7-dihydro-pyrrolo[3,4-g]quinolin-8-one
CID 58928724
9-Benzhydryloxy-5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinolin-8-ol
CID 91475068
7-Oxido-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[4,5-f]isoquinolin-7-ium
CID 129201785

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole (CID 141414017) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole is Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2ncoc12.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole?
The InChIKey is IEJBSODSTJRGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-12-6-7-18-16(5-4-8-23-18)20(12)17-9-15(10-19-22(17)26-11-24-19)21-13(2)25-27-14(21)3/h4-11H,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole has a molecular weight of 355.40 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 141414017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).