3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride

C13H19Cl2NO — CID 3056411

IUPAC3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride
SMILESCCC(c1ccccc1Cl)N1COCC1C.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-3-13(15-9-16-8-10(15)2)11-6-4-5-7-12(11)14;/h4-7,10,13H,3,8-9H2,1-2H3;1H
InChIKeyXEBOVNVEUAUSGN-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.89
Rot. Bonds3

About 3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride

3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride (PubChem CID 3056411) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride
PubChem CID3056411
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride
SMILESCCC(c1ccccc1Cl)N1COCC1C.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-3-13(15-9-16-8-10(15)2)11-6-4-5-7-12(11)14;/h4-7,10,13H,3,8-9H2,1-2H3;1H
InChIKeyXEBOVNVEUAUSGN-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride?
The IUPAC name of 3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride (CID 3056411) is 3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride is CCC(c1ccccc1Cl)N1COCC1C.Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride?
The InChIKey is XEBOVNVEUAUSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c1-3-13(15-9-16-8-10(15)2)11-6-4-5-7-12(11)14;/h4-7,10,13H,3,8-9H2,1-2H3;1H.
What are the key properties of 3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride?
3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 3056411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).