2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine

C22H17ClFNO — CID 54223502

IUPAC2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(Cl)c1C1=NC(c2ccc(-c3ccccc3)cc2)CCO1
InChIInChI=1S/C22H17ClFNO/c23-18-7-4-8-19(24)21(18)22-25-20(13-14-26-22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-12,20H,13-14H2
InChIKeyQEGJNMJDNDIFDJ-UHFFFAOYSA-N
MW365.84 g/mol
LogP6.05
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine

2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54223502) has the molecular formula C22H17ClFNO and a molecular weight of 365.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID54223502
Molecular FormulaC22H17ClFNO
Molecular Weight365.84 g/mol
Exact Mass365.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(Cl)c1C1=NC(c2ccc(-c3ccccc3)cc2)CCO1
InChIInChI=1S/C22H17ClFNO/c23-18-7-4-8-19(24)21(18)22-25-20(13-14-26-22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-12,20H,13-14H2
InChIKeyQEGJNMJDNDIFDJ-UHFFFAOYSA-N
XLogP6.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.84
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Chloro-4-octylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008033
4-(2-Chloro-4-ethylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76308799
4-[2-Chloro-4-(2-methylpropyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76316008
4-(2-Chloro-4-hexylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76316009
2-(2-Chloro-6-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414792
2-(2-Chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414802
4-(2-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853207
4-(2-Chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853267
4-(2-Chloro-4-dodecylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008041
4-(2-Chloro-4-decylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008044
4-(3-Chloro-4-hexylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76308795
2-(2-Chlorophenyl)-4-phenyl-4,5-dihydrooxazole
CID 139724949

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine (CID 54223502) is 2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine is Fc1cccc(Cl)c1C1=NC(c2ccc(-c3ccccc3)cc2)CCO1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is QEGJNMJDNDIFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO/c23-18-7-4-8-19(24)21(18)22-25-20(13-14-26-22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-12,20H,13-14H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine?
2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 365.84 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-(4-phenylphenyl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54223502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).