2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine

C10H12ClNO — CID 117227380

IUPAC2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine
SMILESCC1(c2cccc(Cl)c2)NCCO1
InChIInChI=1S/C10H12ClNO/c1-10(12-5-6-13-10)8-3-2-4-9(11)7-8/h2-4,7,12H,5-6H2,1H3
InChIKeyWNWQLTJDFWDOFE-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.13
Rot. Bonds1

About 2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine

2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine (PubChem CID 117227380) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine
PubChem CID117227380
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine
SMILESCC1(c2cccc(Cl)c2)NCCO1
InChIInChI=1S/C10H12ClNO/c1-10(12-5-6-13-10)8-3-2-4-9(11)7-8/h2-4,7,12H,5-6H2,1H3
InChIKeyWNWQLTJDFWDOFE-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine (CID 117227380) is 2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine is CC1(c2cccc(Cl)c2)NCCO1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine?
The InChIKey is WNWQLTJDFWDOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-10(12-5-6-13-10)8-3-2-4-9(11)7-8/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine?
2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine has a molecular weight of 197.67 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 117227380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).