(2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate

C23H18Cl2N2O3 — CID 14650637

IUPAC(2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OC1COC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C23H18Cl2N2O3/c24-18-12-11-17(13-19(18)25)26-23(28)30-20-14-29-22(16-9-5-2-6-10-16)27-21(20)15-7-3-1-4-8-15/h1-13,20-21H,14H2,(H,26,28)
InChIKeyYGJOWYVVHLFBRH-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.13
Rot. Bonds4

About (2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate

(2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate (PubChem CID 14650637) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is (2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate
PubChem CID14650637
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC Name(2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OC1COC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C23H18Cl2N2O3/c24-18-12-11-17(13-19(18)25)26-23(28)30-20-14-29-22(16-9-5-2-6-10-16)27-21(20)15-7-3-1-4-8-15/h1-13,20-21H,14H2,(H,26,28)
InChIKeyYGJOWYVVHLFBRH-UHFFFAOYSA-N
XLogP6.13
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of (2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate (CID 14650637) is (2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for (2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for (2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)OC1COC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of (2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate?
The InChIKey is YGJOWYVVHLFBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c24-18-12-11-17(13-19(18)25)26-23(28)30-20-14-29-22(16-9-5-2-6-10-16)27-21(20)15-7-3-1-4-8-15/h1-13,20-21H,14H2,(H,26,28).
What are the key properties of (2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate?
(2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate has a molecular weight of 441.31 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-yl) N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 14650637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).