methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate

C16H19NO3 — CID 56661850

IUPACmethyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCCCc1ccc(-c2nc(C)c(C(=O)OC)o2)cc1
InChIInChI=1S/C16H19NO3/c1-4-5-6-12-7-9-13(10-8-12)15-17-11(2)14(20-15)16(18)19-3/h7-10H,4-6H2,1-3H3
InChIKeyOBNPBIYLKJXUCZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.78
Rot. Bonds5

About methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate

methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 56661850) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
PubChem CID56661850
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate
SMILESCCCCc1ccc(-c2nc(C)c(C(=O)OC)o2)cc1
InChIInChI=1S/C16H19NO3/c1-4-5-6-12-7-9-13(10-8-12)15-17-11(2)14(20-15)16(18)19-3/h7-10H,4-6H2,1-3H3
InChIKeyOBNPBIYLKJXUCZ-UHFFFAOYSA-N
XLogP3.78
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-butylphenyl)-4-methyl-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
Dimethyl-POPOP
CID 76491
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
LY-465608
CID 9890319
Phenylpropanoic acid derivative, 56
CID 10164032
Phenylpropanoic acid derivative, 57
CID 10164033
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
(2s,5s)-2-Methyl-5-(4-((5-methyl-2-p-tolyloxazol-4-yl)methoxy)benzyl)-1,3-dioxane-2-carboxylic acid
CID 25147673
2-Methyl-c-5-{4-[2-(5-methyl-2-(4-methylphenyl)oxazol-4-yl)ethoxy]benzyl}-1,3-dioxane-s-2-carboxylic acid
CID 44577535
Methyl 2-(4-chlorophenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 1484190

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate (CID 56661850) is methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate is CCCCc1ccc(-c2nc(C)c(C(=O)OC)o2)cc1.
What is the InChIKey of methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is OBNPBIYLKJXUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-5-6-12-7-9-13(10-8-12)15-17-11(2)14(20-15)16(18)19-3/h7-10H,4-6H2,1-3H3.
What are the key properties of methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate?
methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-butylphenyl)-4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 56661850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).