6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole

C17H16N2O — CID 106902728

IUPAC6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
SMILESCc1ccc2nc(C3CNc4ccccc4C3)oc2c1
InChIInChI=1S/C17H16N2O/c1-11-6-7-15-16(8-11)20-17(19-15)13-9-12-4-2-3-5-14(12)18-10-13/h2-8,13,18H,9-10H2,1H3
InChIKeyQJTWMERDGLCGND-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.89
Rot. Bonds1

About 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole

6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole (PubChem CID 106902728) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
PubChem CID106902728
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
SMILESCc1ccc2nc(C3CNc4ccccc4C3)oc2c1
InChIInChI=1S/C17H16N2O/c1-11-6-7-15-16(8-11)20-17(19-15)13-9-12-4-2-3-5-14(12)18-10-13/h2-8,13,18H,9-10H2,1H3
InChIKeyQJTWMERDGLCGND-UHFFFAOYSA-N
XLogP3.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
CID 106902598
5,7-dichloro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 107676294
7-bromo-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902739
6-methyl-2-[(3S)-piperidin-3-yl]-1,3-benzoxazole
CID 51673597
[4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 79524790
2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole
CID 80566161
3-(2-methylfuran-3-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902703
6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
CID 106902599
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902657
3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106777922
3-(3-methylimidazol-4-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902698
3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781776

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole (CID 106902728) is 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole is Cc1ccc2nc(C3CNc4ccccc4C3)oc2c1.
What is the InChIKey of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole?
The InChIKey is QJTWMERDGLCGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-6-7-15-16(8-11)20-17(19-15)13-9-12-4-2-3-5-14(12)18-10-13/h2-8,13,18H,9-10H2,1H3.
What are the key properties of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole?
6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole has a molecular weight of 264.33 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 106902728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).