4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one

C11H11NO2 — CID 45123172

IUPAC4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one
SMILESCc1ccccc1C1=NC(C)C(=O)O1
InChIInChI=1S/C11H11NO2/c1-7-5-3-4-6-9(7)10-12-8(2)11(13)14-10/h3-6,8H,1-2H3
InChIKeyREEMOYVJGVDEJR-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.69
Rot. Bonds1

About 4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one

4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one (PubChem CID 45123172) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one
PubChem CID45123172
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one
SMILESCc1ccccc1C1=NC(C)C(=O)O1
InChIInChI=1S/C11H11NO2/c1-7-5-3-4-6-9(7)10-12-8(2)11(13)14-10/h3-6,8H,1-2H3
InChIKeyREEMOYVJGVDEJR-UHFFFAOYSA-N
XLogP1.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one (CID 45123172) is 4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one is Cc1ccccc1C1=NC(C)C(=O)O1.
What is the InChIKey of 4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one?
The InChIKey is REEMOYVJGVDEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-5-3-4-6-9(7)10-12-8(2)11(13)14-10/h3-6,8H,1-2H3.
What are the key properties of 4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one?
4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylphenyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 45123172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).