methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate

C15H19NO3 — CID 14928632

IUPACmethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(C)CC(c2c(C)cc(C)cc2C)=NO1
InChIInChI=1S/C15H19NO3/c1-9-6-10(2)13(11(3)7-9)12-8-15(4,19-16-12)14(17)18-5/h6-7H,8H2,1-5H3
InChIKeyUGHOISQJJZGTAB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.67
Rot. Bonds2

About methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate

methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate (PubChem CID 14928632) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate
PubChem CID14928632
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(C)CC(c2c(C)cc(C)cc2C)=NO1
InChIInChI=1S/C15H19NO3/c1-9-6-10(2)13(11(3)7-9)12-8-15(4,19-16-12)14(17)18-5/h6-7H,8H2,1-5H3
InChIKeyUGHOISQJJZGTAB-UHFFFAOYSA-N
XLogP2.67
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate (CID 14928632) is methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate is COC(=O)C1(C)CC(c2c(C)cc(C)cc2C)=NO1.
What is the InChIKey of methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
The InChIKey is UGHOISQJJZGTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-6-10(2)13(11(3)7-9)12-8-15(4,19-16-12)14(17)18-5/h6-7H,8H2,1-5H3.
What are the key properties of methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.67, 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-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 14928632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).