3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine

C11H14ClNO — CID 138756871

IUPAC3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine
SMILESCC1CN(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C11H14ClNO/c1-9-6-13(8-14-9)7-10-2-4-11(12)5-3-10/h2-5,9H,6-8H2,1H3
InChIKeyOZHHBVGXZIVGCM-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.52
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine

3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine (PubChem CID 138756871) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine
PubChem CID138756871
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine
SMILESCC1CN(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C11H14ClNO/c1-9-6-13(8-14-9)7-10-2-4-11(12)5-3-10/h2-5,9H,6-8H2,1H3
InChIKeyOZHHBVGXZIVGCM-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine (CID 138756871) is 3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine is CC1CN(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine?
The InChIKey is OZHHBVGXZIVGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-9-6-13(8-14-9)7-10-2-4-11(12)5-3-10/h2-5,9H,6-8H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine?
3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine has a molecular weight of 211.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-methyl-1,3-oxazolidine is sourced from PubChem (CID 138756871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).