methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C12H11NO3 — CID 727920

IUPACmethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C12H11NO3/c1-8-10(12(14)15-2)11(13-16-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyVJCQAWFSNYNJLG-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.44
Rot. Bonds2

About methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 727920) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID727920
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C12H11NO3/c1-8-10(12(14)15-2)11(13-16-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyVJCQAWFSNYNJLG-UHFFFAOYSA-N
XLogP2.44
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate 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 methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 727920) is methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is VJCQAWFSNYNJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-10(12(14)15-2)11(13-16-8)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 727920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).