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

C15H19NO3 — CID 135002765

IUPACmethyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1ON=C(c2c(C)cc(C)cc2C)C1C
InChIInChI=1S/C15H19NO3/c1-8-6-9(2)12(10(3)7-8)13-11(4)14(19-16-13)15(17)18-5/h6-7,11,14H,1-5H3
InChIKeyVLZRKZXOJHYTIW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.52
Rot. Bonds2

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

methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 135002765) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID135002765
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1ON=C(c2c(C)cc(C)cc2C)C1C
InChIInChI=1S/C15H19NO3/c1-8-6-9(2)12(10(3)7-8)13-11(4)14(19-16-13)15(17)18-5/h6-7,11,14H,1-5H3
InChIKeyVLZRKZXOJHYTIW-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 135002765) is methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)C1ON=C(c2c(C)cc(C)cc2C)C1C.
What is the InChIKey of methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is VLZRKZXOJHYTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-8-6-9(2)12(10(3)7-8)13-11(4)14(19-16-13)15(17)18-5/h6-7,11,14H,1-5H3.
What are the key properties of methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 135002765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).