4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one

C11H11NO2 — CID 16957484

IUPAC4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESC=C1COC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C11H11NO2/c1-8-3-5-10(6-4-8)12-9(2)7-14-11(12)13/h3-6H,2,7H2,1H3
InChIKeyDQTMIQBEWPCNPE-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.47
Rot. Bonds1

About 4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one

4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 16957484) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID16957484
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESC=C1COC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C11H11NO2/c1-8-3-5-10(6-4-8)12-9(2)7-14-11(12)13/h3-6H,2,7H2,1H3
InChIKeyDQTMIQBEWPCNPE-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one (CID 16957484) is 4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one is C=C1COC(=O)N1c1ccc(C)cc1.
What is the InChIKey of 4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is DQTMIQBEWPCNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-3-5-10(6-4-8)12-9(2)7-14-11(12)13/h3-6H,2,7H2,1H3.
What are the key properties of 4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 189.21 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-(4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 16957484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).