5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one

C16H13Cl2NO2 — CID 50903546

IUPAC5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one
SMILESO=C1CC(c2ccc(Cl)cc2)ON1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2NO2/c17-13-5-1-11(2-6-13)10-19-16(20)9-15(21-19)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2
InChIKeyMAPFENXXXBJYAJ-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.40
Rot. Bonds3

About 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one

5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one (PubChem CID 50903546) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one
PubChem CID50903546
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one
SMILESO=C1CC(c2ccc(Cl)cc2)ON1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2NO2/c17-13-5-1-11(2-6-13)10-19-16(20)9-15(21-19)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2
InChIKeyMAPFENXXXBJYAJ-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one?
The IUPAC name of 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one (CID 50903546) is 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one is O=C1CC(c2ccc(Cl)cc2)ON1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one?
The InChIKey is MAPFENXXXBJYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-13-5-1-11(2-6-13)10-19-16(20)9-15(21-19)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2.
What are the key properties of 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one?
5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one has a molecular weight of 322.19 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 50903546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).