methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate

C19H25NO4 — CID 150648476

IUPACmethyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1
InChIInChI=1S/C19H25NO4/c1-18(2,3)11-8-12(15(21)13(9-11)19(4,5)6)16-20-14(10-24-16)17(22)23-7/h8-10,21H,1-7H3
InChIKeyJBJKHBJPLRAQLT-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.43
Rot. Bonds2

About methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate

methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 150648476) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID150648476
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Namemethyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1
InChIInChI=1S/C19H25NO4/c1-18(2,3)11-8-12(15(21)13(9-11)19(4,5)6)16-20-14(10-24-16)17(22)23-7/h8-10,21H,1-7H3
InChIKeyJBJKHBJPLRAQLT-UHFFFAOYSA-N
XLogP4.43
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate (CID 150648476) is methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate is COC(=O)c1coc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1.
What is the InChIKey of methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is JBJKHBJPLRAQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-18(2,3)11-8-12(15(21)13(9-11)19(4,5)6)16-20-14(10-24-16)17(22)23-7/h8-10,21H,1-7H3.
What are the key properties of methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate?
methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 331.41 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-ditert-butyl-2-hydroxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 150648476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).