3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one

C15H7Cl4NO3 — CID 91608961

IUPAC3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one
SMILESO=c1oc(-c2c(Cl)cccc2Cl)c(O)n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H7Cl4NO3/c16-7-4-5-8(17)11(6-7)20-14(21)13(23-15(20)22)12-9(18)2-1-3-10(12)19/h1-6,21H
InChIKeyOKBVSLGKCWSOTF-UHFFFAOYSA-N
MW391.04 g/mol
LogP5.42
Rot. Bonds2

About 3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one

3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one (PubChem CID 91608961) has the molecular formula C15H7Cl4NO3 and a molecular weight of 391.04 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one
PubChem CID91608961
Molecular FormulaC15H7Cl4NO3
Molecular Weight391.04 g/mol
Exact Mass388.92
IUPAC Name3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one
SMILESO=c1oc(-c2c(Cl)cccc2Cl)c(O)n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H7Cl4NO3/c16-7-4-5-8(17)11(6-7)20-14(21)13(23-15(20)22)12-9(18)2-1-3-10(12)19/h1-6,21H
InChIKeyOKBVSLGKCWSOTF-UHFFFAOYSA-N
XLogP5.42
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.04
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one?
The IUPAC name of 3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one (CID 91608961) is 3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one?
The canonical SMILES for 3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one is O=c1oc(-c2c(Cl)cccc2Cl)c(O)n1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one?
The InChIKey is OKBVSLGKCWSOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl4NO3/c16-7-4-5-8(17)11(6-7)20-14(21)13(23-15(20)22)12-9(18)2-1-3-10(12)19/h1-6,21H.
What are the key properties of 3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one?
3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one has a molecular weight of 391.04 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-5-(2,6-dichlorophenyl)-4-hydroxy-1,3-oxazol-2-one is sourced from PubChem (CID 91608961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).