2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

C15H20ClN3O2 — CID 70432010

IUPAC2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCCC=NNc1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-4-7-17-18-12-6-5-11(13(16)8-12)9-19-14(20)15(2,3)10-21-19/h5-8,18H,4,9-10H2,1-3H3
InChIKeyFIWCKOXZQSODNC-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.45
Rot. Bonds5

About 2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 70432010) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID70432010
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCCC=NNc1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-4-7-17-18-12-6-5-11(13(16)8-12)9-19-14(20)15(2,3)10-21-19/h5-8,18H,4,9-10H2,1-3H3
InChIKeyFIWCKOXZQSODNC-UHFFFAOYSA-N
XLogP3.45
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.45
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-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 70432010) is 2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CCC=NNc1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1.
What is the InChIKey of 2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is FIWCKOXZQSODNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-4-7-17-18-12-6-5-11(13(16)8-12)9-19-14(20)15(2,3)10-21-19/h5-8,18H,4,9-10H2,1-3H3.
What are the key properties of 2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 309.80 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(2-propylidenehydrazinyl)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 70432010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).