3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole

C24H16Cl4N2O4 — CID 14913960

IUPAC3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole
SMILESCO[C@@H]1ON=C(c2c(Cl)cccc2Cl)[C@H]1C1(c2ccccc2)ON=C(c2c(Cl)cccc2Cl)O1
InChIInChI=1S/C24H16Cl4N2O4/c1-31-23-20(21(29-33-23)18-14(25)9-5-10-15(18)26)24(13-7-3-2-4-8-13)32-22(30-34-24)19-16(27)11-6-12-17(19)28/h2-12,20,23H,1H3/t20-,23-,24?/m1/s1
InChIKeyIHIIYMMCZZZGCA-BPUXPJLDSA-N
MW538.21 g/mol
LogP6.88
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole

3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole (PubChem CID 14913960) has the molecular formula C24H16Cl4N2O4 and a molecular weight of 538.21 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole
PubChem CID14913960
Molecular FormulaC24H16Cl4N2O4
Molecular Weight538.21 g/mol
Exact Mass535.99
IUPAC Name3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole
SMILESCO[C@@H]1ON=C(c2c(Cl)cccc2Cl)[C@H]1C1(c2ccccc2)ON=C(c2c(Cl)cccc2Cl)O1
InChIInChI=1S/C24H16Cl4N2O4/c1-31-23-20(21(29-33-23)18-14(25)9-5-10-15(18)26)24(13-7-3-2-4-8-13)32-22(30-34-24)19-16(27)11-6-12-17(19)28/h2-12,20,23H,1H3/t20-,23-,24?/m1/s1
InChIKeyIHIIYMMCZZZGCA-BPUXPJLDSA-N
XLogP6.88
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.21
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole (CID 14913960) is 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole is CO[C@@H]1ON=C(c2c(Cl)cccc2Cl)[C@H]1C1(c2ccccc2)ON=C(c2c(Cl)cccc2Cl)O1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole?
The InChIKey is IHIIYMMCZZZGCA-BPUXPJLDSA-N. The full InChI is InChI=1S/C24H16Cl4N2O4/c1-31-23-20(21(29-33-23)18-14(25)9-5-10-15(18)26)24(13-7-3-2-4-8-13)32-22(30-34-24)19-16(27)11-6-12-17(19)28/h2-12,20,23H,1H3/t20-,23-,24?/m1/s1.
What are the key properties of 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole?
3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole has a molecular weight of 538.21 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-[(4R,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-1,4,2-dioxazole is sourced from PubChem (CID 14913960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).