3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one

C12H12ClNO2 — CID 975693

IUPAC3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1N(c2cccc(Cl)c2)C(=O)OC1(C)C
InChIInChI=1S/C12H12ClNO2/c1-8-12(2,3)16-11(15)14(8)10-6-4-5-9(13)7-10/h4-7H,1H2,2-3H3
InChIKeyPCPWYLAWNWKKEA-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.59
Rot. Bonds1

About 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one

3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one (PubChem CID 975693) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
PubChem CID975693
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1N(c2cccc(Cl)c2)C(=O)OC1(C)C
InChIInChI=1S/C12H12ClNO2/c1-8-12(2,3)16-11(15)14(8)10-6-4-5-9(13)7-10/h4-7H,1H2,2-3H3
InChIKeyPCPWYLAWNWKKEA-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one (CID 975693) is 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one is C=C1N(c2cccc(Cl)c2)C(=O)OC1(C)C.
What is the InChIKey of 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The InChIKey is PCPWYLAWNWKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-8-12(2,3)16-11(15)14(8)10-6-4-5-9(13)7-10/h4-7H,1H2,2-3H3.
What are the key properties of 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one has a molecular weight of 237.69 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 975693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).