(2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine

C12H15Cl2NO — CID 126611053

IUPAC(2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine
SMILESCC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)[C@@H](C)O1
InChIInChI=1S/C12H15Cl2NO/c1-3-10-7-15(8(2)16-10)9-4-5-11(13)12(14)6-9/h4-6,8,10H,3,7H2,1-2H3/t8-,10-/m1/s1
InChIKeyAOVLGKVKCAZBAW-PSASIEDQSA-N
MW260.16 g/mol
LogP3.95
Rot. Bonds2

About (2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine

(2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine (PubChem CID 126611053) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine
PubChem CID126611053
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine
SMILESCC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)[C@@H](C)O1
InChIInChI=1S/C12H15Cl2NO/c1-3-10-7-15(8(2)16-10)9-4-5-11(13)12(14)6-9/h4-6,8,10H,3,7H2,1-2H3/t8-,10-/m1/s1
InChIKeyAOVLGKVKCAZBAW-PSASIEDQSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(2R,5R)-5-ethyl-2-methyl-1,3-oxazolidin-3-yl]-3-methylbenzonitrile
CID 126610989
1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine
CID 64933320
1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136
2-(3,4-dichlorophenyl)-5-ethyloxolane
CID 90089094
4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine
CID 11514596
1-(3,4-dichlorophenyl)azetidin-3-ol
CID 155174092
2-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzonitrile
CID 81203842
(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 51893633
4-[(2R,5S)-5-[(2-chloro-4-nitrophenoxy)methyl]-2-methyl-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile
CID 126611000
1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine
CID 64935055
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine
CID 64938465

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine?
The IUPAC name of (2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine (CID 126611053) is (2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine.
What is the SMILES notation for (2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine?
The canonical SMILES for (2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine is CC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)[C@@H](C)O1.
What is the InChIKey of (2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine?
The InChIKey is AOVLGKVKCAZBAW-PSASIEDQSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-10-7-15(8(2)16-10)9-4-5-11(13)12(14)6-9/h4-6,8,10H,3,7H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of (2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine?
(2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine has a molecular weight of 260.16 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-(3,4-dichlorophenyl)-5-ethyl-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 126611053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).