3-methyl-2-methylidene-5-phenyl-1,3-oxazole

C11H11NO — CID 54340912

IUPAC3-methyl-2-methylidene-5-phenyl-1,3-oxazole
SMILESC=C1OC(c2ccccc2)=CN1C
InChIInChI=1S/C11H11NO/c1-9-12(2)8-11(13-9)10-6-4-3-5-7-10/h3-8H,1H2,2H3
InChIKeyTYWUKIXDVPNCST-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.42
Rot. Bonds1

About 3-methyl-2-methylidene-5-phenyl-1,3-oxazole

3-methyl-2-methylidene-5-phenyl-1,3-oxazole (PubChem CID 54340912) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-methyl-2-methylidene-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name3-methyl-2-methylidene-5-phenyl-1,3-oxazole
PubChem CID54340912
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-methyl-2-methylidene-5-phenyl-1,3-oxazole
SMILESC=C1OC(c2ccccc2)=CN1C
InChIInChI=1S/C11H11NO/c1-9-12(2)8-11(13-9)10-6-4-3-5-7-10/h3-8H,1H2,2H3
InChIKeyTYWUKIXDVPNCST-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-methylidene-5-phenyl-1,3-oxazole 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-methyl-2-methylidene-5-phenyl-1,3-oxazole?
The IUPAC name of 3-methyl-2-methylidene-5-phenyl-1,3-oxazole (CID 54340912) is 3-methyl-2-methylidene-5-phenyl-1,3-oxazole.
What is the SMILES notation for 3-methyl-2-methylidene-5-phenyl-1,3-oxazole?
The canonical SMILES for 3-methyl-2-methylidene-5-phenyl-1,3-oxazole is C=C1OC(c2ccccc2)=CN1C.
What is the InChIKey of 3-methyl-2-methylidene-5-phenyl-1,3-oxazole?
The InChIKey is TYWUKIXDVPNCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-9-12(2)8-11(13-9)10-6-4-3-5-7-10/h3-8H,1H2,2H3.
What are the key properties of 3-methyl-2-methylidene-5-phenyl-1,3-oxazole?
3-methyl-2-methylidene-5-phenyl-1,3-oxazole has a molecular weight of 173.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-5-phenyl-1,3-oxazole is sourced from PubChem (CID 54340912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).