3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane

C21H18Cl2N2O — CID 51357605

IUPAC3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane
SMILESClc1ccc(C2CC(c3cccnc3)N(c3ccc(Cl)cc3)CO2)cc1
InChIInChI=1S/C21H18Cl2N2O/c22-17-5-3-15(4-6-17)21-12-20(16-2-1-11-24-13-16)25(14-26-21)19-9-7-18(23)8-10-19/h1-11,13,20-21H,12,14H2
InChIKeyXWXDEWPMBCNSHV-UHFFFAOYSA-N
MW385.29 g/mol
LogP6.06
Rot. Bonds3

About 3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane

3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane (PubChem CID 51357605) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is 3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane.

Molecular Properties

Compound Name3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane
PubChem CID51357605
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC Name3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane
SMILESClc1ccc(C2CC(c3cccnc3)N(c3ccc(Cl)cc3)CO2)cc1
InChIInChI=1S/C21H18Cl2N2O/c22-17-5-3-15(4-6-17)21-12-20(16-2-1-11-24-13-16)25(14-26-21)19-9-7-18(23)8-10-19/h1-11,13,20-21H,12,14H2
InChIKeyXWXDEWPMBCNSHV-UHFFFAOYSA-N
XLogP6.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane
CID 51357323
(5R,7S)-7-(4-chlorophenyl)-5-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136664037
1-(4-methylphenyl)-2-pyridin-3-ylpiperazine
CID 82131866
3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine
CID 79434183
3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732509
(2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925225
2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
CID 110871568
furan;3-(1-methylpyrrolidin-2-yl)pyridine
CID 159944485
5-(4-chlorophenyl)-3-methyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 14649303
1-(4-fluorophenyl)-5-pyridin-3-ylimidazolidin-2-one
CID 82132305
(3S,3aS,6aR)-2-(4-chlorophenyl)-5-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 124711976
(3R,3aR,6aR)-5-(4-chlorophenyl)-2-phenyl-3-pyridin-3-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7460983

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane?
The IUPAC name of 3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane (CID 51357605) is 3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane.
What is the SMILES notation for 3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane?
The canonical SMILES for 3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane is Clc1ccc(C2CC(c3cccnc3)N(c3ccc(Cl)cc3)CO2)cc1.
What is the InChIKey of 3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane?
The InChIKey is XWXDEWPMBCNSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c22-17-5-3-15(4-6-17)21-12-20(16-2-1-11-24-13-16)25(14-26-21)19-9-7-18(23)8-10-19/h1-11,13,20-21H,12,14H2.
What are the key properties of 3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane?
3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane has a molecular weight of 385.29 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-chlorophenyl)-4-pyridin-3-yl-1,3-oxazinane is sourced from PubChem (CID 51357605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).