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

C19H14N2O — CID 22081680

IUPAC5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1ccc2ccccc2n1
InChIInChI=1S/C19H14N2O/c1-13-18(19(21-22-13)15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)20-17/h2-12H,1H3
InChIKeyPDYMXXDYVWRTHC-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.87
Rot. Bonds2

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

5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole (PubChem CID 22081680) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole
PubChem CID22081680
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1ccc2ccccc2n1
InChIInChI=1S/C19H14N2O/c1-13-18(19(21-22-13)15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)20-17/h2-12H,1H3
InChIKeyPDYMXXDYVWRTHC-UHFFFAOYSA-N
XLogP4.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole (CID 22081680) is 5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1ccc2ccccc2n1.
What is the InChIKey of 5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole?
The InChIKey is PDYMXXDYVWRTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-13-18(19(21-22-13)15-8-3-2-4-9-15)17-12-11-14-7-5-6-10-16(14)20-17/h2-12H,1H3.
What are the key properties of 5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole?
5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole has a molecular weight of 286.33 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole is sourced from PubChem (CID 22081680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).