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

C12H11NO3 — CID 56930285

IUPACmethyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(C)nc1-c1ccccc1
InChIInChI=1S/C12H11NO3/c1-8-13-10(9-6-4-3-5-7-9)11(16-8)12(14)15-2/h3-7H,1-2H3
InChIKeyLUFJAUQVMDONCC-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.44
Rot. Bonds2

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

methyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate (PubChem CID 56930285) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate
PubChem CID56930285
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(C)nc1-c1ccccc1
InChIInChI=1S/C12H11NO3/c1-8-13-10(9-6-4-3-5-7-9)11(16-8)12(14)15-2/h3-7H,1-2H3
InChIKeyLUFJAUQVMDONCC-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 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Oxaprozin
CID 4614
Romazarit
CID 71321
5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 318533
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
FR-181157
CID 23685469
(S)-2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-2-phenoxy-propionic acid
CID 10004270
Methyl 2-(4-chlorophenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 1484190
5-Methyl-2-phenyl-4-oxazolecarboxamide
CID 100344
5-Methyl-2-phenyl-4-oxazoleacetic acid
CID 2775139
2-(2-Phenyl-1,3-oxazol-4-yl)acetic acid
CID 7131950
4-methyl-2-phenyl-1,3-oxazole-5-carboxylic Acid
CID 4176428
2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol
CID 725585

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate (CID 56930285) is methyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate is COC(=O)c1oc(C)nc1-c1ccccc1.
What is the InChIKey of methyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate?
The InChIKey is LUFJAUQVMDONCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-13-10(9-6-4-3-5-7-9)11(16-8)12(14)15-2/h3-7H,1-2H3.
What are the key properties of methyl 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate?
methyl 2-methyl-4-phenyl-1,3-oxazole-5-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 2-methyl-4-phenyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 56930285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).