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

C19H20ClN3O2 — CID 70432782

IUPAC2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2ccc(NN=Cc3ccccc3)cc2Cl)C1=O
InChIInChI=1S/C19H20ClN3O2/c1-19(2)13-25-23(18(19)24)12-15-8-9-16(10-17(15)20)22-21-11-14-6-4-3-5-7-14/h3-11,22H,12-13H2,1-2H3
InChIKeyCDJNCKISMOQUFL-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.09
Rot. Bonds5

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

2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 70432782) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID70432782
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2ccc(NN=Cc3ccccc3)cc2Cl)C1=O
InChIInChI=1S/C19H20ClN3O2/c1-19(2)13-25-23(18(19)24)12-15-8-9-16(10-17(15)20)22-21-11-14-6-4-3-5-7-14/h3-11,22H,12-13H2,1-2H3
InChIKeyCDJNCKISMOQUFL-UHFFFAOYSA-N
XLogP4.09
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 70432782) is 2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CC1(C)CON(Cc2ccc(NN=Cc3ccccc3)cc2Cl)C1=O.
What is the InChIKey of 2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is CDJNCKISMOQUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-19(2)13-25-23(18(19)24)12-15-8-9-16(10-17(15)20)22-21-11-14-6-4-3-5-7-14/h3-11,22H,12-13H2,1-2H3.
What are the key properties of 2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 357.84 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 70432782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).