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

C17H16N2O — CID 43436668

IUPAC6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
SMILESCc1ccc2nc(-c3ccc4c(c3)CCCN4)oc2c1
InChIInChI=1S/C17H16N2O/c1-11-4-6-15-16(9-11)20-17(19-15)13-5-7-14-12(10-13)3-2-8-18-14/h4-7,9-10,18H,2-3,8H2,1H3
InChIKeyHUEJLPBLUQWGCW-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.16
Rot. Bonds1

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

6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole (PubChem CID 43436668) 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-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
PubChem CID43436668
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
SMILESCc1ccc2nc(-c3ccc4c(c3)CCCN4)oc2c1
InChIInChI=1S/C17H16N2O/c1-11-4-6-15-16(9-11)20-17(19-15)13-5-7-14-12(10-13)3-2-8-18-14/h4-7,9-10,18H,2-3,8H2,1H3
InChIKeyHUEJLPBLUQWGCW-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
CID 81421258
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
6-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500792
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)aniline
CID 55158304
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole
CID 20983466
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
6-(3-methylimidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 114793362
6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 62722712

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole (CID 43436668) is 6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole is Cc1ccc2nc(-c3ccc4c(c3)CCCN4)oc2c1.
What is the InChIKey of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole?
The InChIKey is HUEJLPBLUQWGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-4-6-15-16(9-11)20-17(19-15)13-5-7-14-12(10-13)3-2-8-18-14/h4-7,9-10,18H,2-3,8H2,1H3.
What are the key properties of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole?
6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole has a molecular weight of 264.33 g/mol, XLogP of 4.16, 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-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 43436668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).