2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone

C10H17Cl2NO2 — CID 71482023

IUPAC2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone
SMILESCCCC1OC(C)C(C)N1C(=O)C(Cl)Cl
InChIInChI=1S/C10H17Cl2NO2/c1-4-5-8-13(10(14)9(11)12)6(2)7(3)15-8/h6-9H,4-5H2,1-3H3
InChIKeyUPEZYQXQRKZSMG-UHFFFAOYSA-N
MW254.16 g/mol
LogP2.55
Rot. Bonds3

About 2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone

2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 71482023) has the molecular formula C10H17Cl2NO2 and a molecular weight of 254.16 g/mol. Its IUPAC name is 2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID71482023
Molecular FormulaC10H17Cl2NO2
Molecular Weight254.16 g/mol
Exact Mass253.06
IUPAC Name2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone
SMILESCCCC1OC(C)C(C)N1C(=O)C(Cl)Cl
InChIInChI=1S/C10H17Cl2NO2/c1-4-5-8-13(10(14)9(11)12)6(2)7(3)15-8/h6-9H,4-5H2,1-3H3
InChIKeyUPEZYQXQRKZSMG-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3699318
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
2,2-dichloro-1-[(2S,5R)-4-(2,2-dichloroacetyl)-2,5-dimethylpiperazin-1-yl]ethanone
CID 840950
2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 23043343
2,2-dichloro-1-(1-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 14555099
1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone
CID 102405794
1-(2,5-dimethyloxolan-3-yl)butan-1-one
CID 130785463
(4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid
CID 142992119
1-(3-propyloxiran-2-yl)ethanone
CID 11228807
(3R)-3-propyloxirane-2-carboxylic acid
CID 54567542
(2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one
CID 162112178
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone (CID 71482023) is 2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone is CCCC1OC(C)C(C)N1C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is UPEZYQXQRKZSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO2/c1-4-5-8-13(10(14)9(11)12)6(2)7(3)15-8/h6-9H,4-5H2,1-3H3.
What are the key properties of 2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone?
2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 254.16 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(4,5-dimethyl-2-propyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 71482023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).