6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one

C22H16ClNO2 — CID 15570594

IUPAC6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one
SMILESO=C1C=C(c2ccc(Cl)cc2)OC(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H16ClNO2/c23-18-13-11-16(12-14-18)20-15-21(25)24(19-9-5-2-6-10-19)22(26-20)17-7-3-1-4-8-17/h1-15,22H
InChIKeyUDEYBJVXXKLCIC-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.44
Rot. Bonds3

About 6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one

6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one (PubChem CID 15570594) has the molecular formula C22H16ClNO2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one
PubChem CID15570594
Molecular FormulaC22H16ClNO2
Molecular Weight361.83 g/mol
Exact Mass361.09
IUPAC Name6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one
SMILESO=C1C=C(c2ccc(Cl)cc2)OC(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H16ClNO2/c23-18-13-11-16(12-14-18)20-15-21(25)24(19-9-5-2-6-10-19)22(26-20)17-7-3-1-4-8-17/h1-15,22H
InChIKeyUDEYBJVXXKLCIC-UHFFFAOYSA-N
XLogP5.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one (CID 15570594) is 6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one is O=C1C=C(c2ccc(Cl)cc2)OC(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one?
The InChIKey is UDEYBJVXXKLCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO2/c23-18-13-11-16(12-14-18)20-15-21(25)24(19-9-5-2-6-10-19)22(26-20)17-7-3-1-4-8-17/h1-15,22H.
What are the key properties of 6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one?
6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one has a molecular weight of 361.83 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 15570594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).