5-phenyl-2-quinolin-4-yl-1,3-oxazole

C18H12N2O — CID 4036760

IUPAC5-phenyl-2-quinolin-4-yl-1,3-oxazole
SMILESc1ccc(-c2cnc(-c3ccnc4ccccc34)o2)cc1
InChIInChI=1S/C18H12N2O/c1-2-6-13(7-3-1)17-12-20-18(21-17)15-10-11-19-16-9-5-4-8-14(15)16/h1-12H
InChIKeyJECFBFCLXHDFDF-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.56
Rot. Bonds2

About 5-phenyl-2-quinolin-4-yl-1,3-oxazole

5-phenyl-2-quinolin-4-yl-1,3-oxazole (PubChem CID 4036760) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-phenyl-2-quinolin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-quinolin-4-yl-1,3-oxazole
PubChem CID4036760
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name5-phenyl-2-quinolin-4-yl-1,3-oxazole
SMILESc1ccc(-c2cnc(-c3ccnc4ccccc34)o2)cc1
InChIInChI=1S/C18H12N2O/c1-2-6-13(7-3-1)17-12-20-18(21-17)15-10-11-19-16-9-5-4-8-14(15)16/h1-12H
InChIKeyJECFBFCLXHDFDF-UHFFFAOYSA-N
XLogP4.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-quinolin-4-yl-1,3-oxazole?
The IUPAC name of 5-phenyl-2-quinolin-4-yl-1,3-oxazole (CID 4036760) is 5-phenyl-2-quinolin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-quinolin-4-yl-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-quinolin-4-yl-1,3-oxazole is c1ccc(-c2cnc(-c3ccnc4ccccc34)o2)cc1.
What is the InChIKey of 5-phenyl-2-quinolin-4-yl-1,3-oxazole?
The InChIKey is JECFBFCLXHDFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-2-6-13(7-3-1)17-12-20-18(21-17)15-10-11-19-16-9-5-4-8-14(15)16/h1-12H.
What are the key properties of 5-phenyl-2-quinolin-4-yl-1,3-oxazole?
5-phenyl-2-quinolin-4-yl-1,3-oxazole has a molecular weight of 272.31 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-quinolin-4-yl-1,3-oxazole is sourced from PubChem (CID 4036760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).