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

C16H21NO3 — CID 175666448

IUPACethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C)CC(c2c(C)cc(C)cc2C)=NO1
InChIInChI=1S/C16H21NO3/c1-6-19-15(18)16(5)9-13(17-20-16)14-11(3)7-10(2)8-12(14)4/h7-8H,6,9H2,1-5H3
InChIKeyLVRGKDHBHUZTPX-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.06
Rot. Bonds3

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

ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate (PubChem CID 175666448) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate
PubChem CID175666448
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C)CC(c2c(C)cc(C)cc2C)=NO1
InChIInChI=1S/C16H21NO3/c1-6-19-15(18)16(5)9-13(17-20-16)14-11(3)7-10(2)8-12(14)4/h7-8H,6,9H2,1-5H3
InChIKeyLVRGKDHBHUZTPX-UHFFFAOYSA-N
XLogP3.06
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate (CID 175666448) is ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(C)CC(c2c(C)cc(C)cc2C)=NO1.
What is the InChIKey of ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
The InChIKey is LVRGKDHBHUZTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-6-19-15(18)16(5)9-13(17-20-16)14-11(3)7-10(2)8-12(14)4/h7-8H,6,9H2,1-5H3.
What are the key properties of ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate?
ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 175666448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).