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

C15H21ClN2O2 — CID 171984717

IUPAC2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCCN(C)c1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-5-17(4)12-7-6-11(13(16)8-12)9-18-14(19)15(2,3)10-20-18/h6-8H,5,9-10H2,1-4H3
InChIKeyZSQMPIJGSWIYHO-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.10
Rot. Bonds4

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

2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 171984717) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID171984717
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCCN(C)c1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-5-17(4)12-7-6-11(13(16)8-12)9-18-14(19)15(2,3)10-20-18/h6-8H,5,9-10H2,1-4H3
InChIKeyZSQMPIJGSWIYHO-UHFFFAOYSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Chloro-4-methylphenyl)pyrrolidine-2,5-dione
CID 854421
N-(3-chloro-4-methylphenyl)-2-oxo-2-(pyrrolidin-1-yl)acetamide
CID 1828117
N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 2921913
N-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)cyclopentyl]propanamide
CID 12862574
N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17080874
1-(3-Chloro-4-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 6497320
1-(3-chloro-4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 6497321
1-(3-Chloro-4-methylphenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17080863
N-benzyl-1-(3-chloro-4-methylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 46048607
1-(3-Chloro-4-methylphenyl)pyrrolidin-2-one
CID 70196785
3-(3-Chloro-4-methylphenyl)oxazolidin-2-one
CID 89989414
N'-{4-chloro-3-[(4,4-dimethyl-3-oxo-2-isoxazolidinyl)methyl]phenyl}-N-methoxy-N-methylurea
CID 13557250

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 171984717) is 2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CCN(C)c1ccc(CN2OCC(C)(C)C2=O)c(Cl)c1.
What is the InChIKey of 2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is ZSQMPIJGSWIYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-5-17(4)12-7-6-11(13(16)8-12)9-18-14(19)15(2,3)10-20-18/h6-8H,5,9-10H2,1-4H3.
What are the key properties of 2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 296.80 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-[ethyl(methyl)amino]phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 171984717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).