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

C10H12ClNO — CID 3045620

IUPAC2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine
SMILESCN1CCOC1c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c1-12-5-6-13-10(12)8-3-2-4-9(11)7-8/h2-4,7,10H,5-6H2,1H3
InChIKeyYLTMHKHSXWVYEO-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.30
Rot. Bonds1

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

2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine (PubChem CID 3045620) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine
PubChem CID3045620
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine
SMILESCN1CCOC1c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c1-12-5-6-13-10(12)8-3-2-4-9(11)7-8/h2-4,7,10H,5-6H2,1H3
InChIKeyYLTMHKHSXWVYEO-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine?
The IUPAC name of 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine (CID 3045620) is 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine?
The canonical SMILES for 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine is CN1CCOC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine?
The InChIKey is YLTMHKHSXWVYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-12-5-6-13-10(12)8-3-2-4-9(11)7-8/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine?
2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine has a molecular weight of 197.67 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine is sourced from PubChem (CID 3045620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).