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

C22H16ClNO — CID 3545916

IUPAC4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine
SMILESClc1ccc(C2C=C(c3ccccc3)OC(c3ccccc3)=N2)cc1
InChIInChI=1S/C22H16ClNO/c23-19-13-11-16(12-14-19)20-15-21(17-7-3-1-4-8-17)25-22(24-20)18-9-5-2-6-10-18/h1-15,20H
InChIKeyMJJWQDVKRMPXSW-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.90
Rot. Bonds3

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

4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine (PubChem CID 3545916) has the molecular formula C22H16ClNO and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine
PubChem CID3545916
Molecular FormulaC22H16ClNO
Molecular Weight345.83 g/mol
Exact Mass345.09
IUPAC Name4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine
SMILESClc1ccc(C2C=C(c3ccccc3)OC(c3ccccc3)=N2)cc1
InChIInChI=1S/C22H16ClNO/c23-19-13-11-16(12-14-19)20-15-21(17-7-3-1-4-8-17)25-22(24-20)18-9-5-2-6-10-18/h1-15,20H
InChIKeyMJJWQDVKRMPXSW-UHFFFAOYSA-N
XLogP5.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414767
2-(2-Chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414802
2-(3-Chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414833
2-(2-Chlorophenyl)-4-phenyl-4,5-dihydrooxazole
CID 139724949
4-[4-(4-Chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15007856
2-(2,6-difluorophenyl)-4-(4-chlorophenyl)-5,6-dihydro-4H-1,3-oxazine
CID 15790733
4-[4-(4-Chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 18520180
2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro(4H)1,3-oxazine
CID 22115254
2-(2-chloro-4-fluorophenyl)-4-(2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine
CID 53675251
2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine
CID 54223502
2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine
CID 54248219
(4S,5S)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069391

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine?
The IUPAC name of 4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine (CID 3545916) is 4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine.
What is the SMILES notation for 4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine?
The canonical SMILES for 4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine is Clc1ccc(C2C=C(c3ccccc3)OC(c3ccccc3)=N2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine?
The InChIKey is MJJWQDVKRMPXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO/c23-19-13-11-16(12-14-19)20-15-21(17-7-3-1-4-8-17)25-22(24-20)18-9-5-2-6-10-18/h1-15,20H.
What are the key properties of 4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine?
4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine has a molecular weight of 345.83 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine is sourced from PubChem (CID 3545916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).