2-quinolin-3-yl-1,3-benzoxazole

C16H10N2O — CID 12513785

IUPAC2-quinolin-3-yl-1,3-benzoxazole
SMILESc1ccc2ncc(-c3nc4ccccc4o3)cc2c1
InChIInChI=1S/C16H10N2O/c1-2-6-13-11(5-1)9-12(10-17-13)16-18-14-7-3-4-8-15(14)19-16/h1-10H
InChIKeyFQQSPTOAPIOWFS-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.04
Rot. Bonds1

About 2-quinolin-3-yl-1,3-benzoxazole

2-quinolin-3-yl-1,3-benzoxazole (PubChem CID 12513785) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-quinolin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-quinolin-3-yl-1,3-benzoxazole
PubChem CID12513785
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name2-quinolin-3-yl-1,3-benzoxazole
SMILESc1ccc2ncc(-c3nc4ccccc4o3)cc2c1
InChIInChI=1S/C16H10N2O/c1-2-6-13-11(5-1)9-12(10-17-13)16-18-14-7-3-4-8-15(14)19-16/h1-10H
InChIKeyFQQSPTOAPIOWFS-UHFFFAOYSA-N
XLogP4.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
2-(3-Pyridyl)benzoxazole
CID 16803
5-fluoro-PB-22
CID 72710774
1-[7-(1,3-benzoxazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507819
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
N-(2-Pyridin-3-yl-benzooxazol-5-yl)-nicotinamide
CID 646942
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646
example 184 [WO2014186035]
CID 86280679
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-yl-1,3-benzoxazole?
The IUPAC name of 2-quinolin-3-yl-1,3-benzoxazole (CID 12513785) is 2-quinolin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 2-quinolin-3-yl-1,3-benzoxazole?
The canonical SMILES for 2-quinolin-3-yl-1,3-benzoxazole is c1ccc2ncc(-c3nc4ccccc4o3)cc2c1.
What is the InChIKey of 2-quinolin-3-yl-1,3-benzoxazole?
The InChIKey is FQQSPTOAPIOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c1-2-6-13-11(5-1)9-12(10-17-13)16-18-14-7-3-4-8-15(14)19-16/h1-10H.
What are the key properties of 2-quinolin-3-yl-1,3-benzoxazole?
2-quinolin-3-yl-1,3-benzoxazole has a molecular weight of 246.27 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 12513785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).