5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole

C18H13ClN2O — CID 70682687

IUPAC5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESClc1nc2ccccc2cc1C1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H13ClN2O/c19-18-14(10-13-8-4-5-9-15(13)20-18)17-11-16(21-22-17)12-6-2-1-3-7-12/h1-10,17H,11H2
InChIKeyOBWDIGOSBVLZRZ-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.75
Rot. Bonds2

About 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole

5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 70682687) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID70682687
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESClc1nc2ccccc2cc1C1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H13ClN2O/c19-18-14(10-13-8-4-5-9-15(13)20-18)17-11-16(21-22-17)12-6-2-1-3-7-12/h1-10,17H,11H2
InChIKeyOBWDIGOSBVLZRZ-UHFFFAOYSA-N
XLogP4.75
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 70682687) is 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole is Clc1nc2ccccc2cc1C1CC(c2ccccc2)=NO1.
What is the InChIKey of 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is OBWDIGOSBVLZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-18-14(10-13-8-4-5-9-15(13)20-18)17-11-16(21-22-17)12-6-2-1-3-7-12/h1-10,17H,11H2.
What are the key properties of 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 308.77 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 70682687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).