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

C11H13Cl2NO — CID 142626520

IUPAC5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine
SMILESCCC1NCC(c2ccc(Cl)c(Cl)c2)O1
InChIInChI=1S/C11H13Cl2NO/c1-2-11-14-6-10(15-11)7-3-4-8(12)9(13)5-7/h3-5,10-11,14H,2,6H2,1H3
InChIKeyQBPILTMRYWWYGY-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.39
Rot. Bonds2

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

5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine (PubChem CID 142626520) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine
PubChem CID142626520
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine
SMILESCCC1NCC(c2ccc(Cl)c(Cl)c2)O1
InChIInChI=1S/C11H13Cl2NO/c1-2-11-14-6-10(15-11)7-3-4-8(12)9(13)5-7/h3-5,10-11,14H,2,6H2,1H3
InChIKeyQBPILTMRYWWYGY-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine?
The IUPAC name of 5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine (CID 142626520) is 5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine is CCC1NCC(c2ccc(Cl)c(Cl)c2)O1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine?
The InChIKey is QBPILTMRYWWYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-2-11-14-6-10(15-11)7-3-4-8(12)9(13)5-7/h3-5,10-11,14H,2,6H2,1H3.
What are the key properties of 5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine?
5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine has a molecular weight of 246.14 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine is sourced from PubChem (CID 142626520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).