5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole

C15H16N2O — CID 23433682

IUPAC5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole
SMILESCC1=CC(C)(C)Nc2ccc(-c3cnco3)cc21
InChIInChI=1S/C15H16N2O/c1-10-7-15(2,3)17-13-5-4-11(6-12(10)13)14-8-16-9-18-14/h4-9,17H,1-3H3
InChIKeyRSNRFMZCNDOMQB-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.95
Rot. Bonds1

About 5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole

5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole (PubChem CID 23433682) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole
PubChem CID23433682
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole
SMILESCC1=CC(C)(C)Nc2ccc(-c3cnco3)cc21
InChIInChI=1S/C15H16N2O/c1-10-7-15(2,3)17-13-5-4-11(6-12(10)13)14-8-16-9-18-14/h4-9,17H,1-3H3
InChIKeyRSNRFMZCNDOMQB-UHFFFAOYSA-N
XLogP3.95
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,4-trimethyl-6-(2,3,4-trifluorophenyl)-1H-quinoline
CID 23433581
2,2,4-trimethyl-N-(4-methylphenyl)-1H-quinolin-6-amine
CID 154263778
4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile
CID 10446402
[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]hydrazine
CID 59004533
2,2,4-trimethyl-1H-quinoline;hydrochloride
CID 6602975
2,2,4-trimethyl-6-[3-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]-2,2-bis[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethyl]propoxy]-1H-quinoline
CID 70527981
2,2,4-trimethyl-6-pentyl-1H-quinoline
CID 66970055
5-(4-methylphenyl)-1,3-oxazole;4-(1,3-oxazol-5-yl)aniline
CID 159378893
1-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanethiol
CID 163427168
5-(6-methoxynaphthalen-2-yl)-1,3-oxazole
CID 154354480
2,2,4-trimethyl-1H-quinolin-7-ol
CID 23433587
N-(4-methylphenyl)sulfonyl-N-(2,2,4-trimethyl-1H-quinolin-6-yl)acetamide
CID 59375216

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole?
The IUPAC name of 5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole (CID 23433682) is 5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole.
What is the SMILES notation for 5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole?
The canonical SMILES for 5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole is CC1=CC(C)(C)Nc2ccc(-c3cnco3)cc21.
What is the InChIKey of 5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole?
The InChIKey is RSNRFMZCNDOMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-7-15(2,3)17-13-5-4-11(6-12(10)13)14-8-16-9-18-14/h4-9,17H,1-3H3.
What are the key properties of 5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole?
5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole has a molecular weight of 240.31 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole is sourced from PubChem (CID 23433682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).