(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate

C19H26N2O4 — CID 71905182

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCc1nnc(COC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1
InChIInChI=1S/C19H26N2O4/c1-11-20-21-15(25-11)10-24-17(23)12-8-13(18(2,3)4)16(22)14(9-12)19(5,6)7/h8-9,22H,10H2,1-7H3
InChIKeyGRGVZJWJHDWYJQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.04
Rot. Bonds3

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate (PubChem CID 71905182) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate
PubChem CID71905182
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCc1nnc(COC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1
InChIInChI=1S/C19H26N2O4/c1-11-20-21-15(25-11)10-24-17(23)12-8-13(18(2,3)4)16(22)14(9-12)19(5,6)7/h8-9,22H,10H2,1-7H3
InChIKeyGRGVZJWJHDWYJQ-UHFFFAOYSA-N
XLogP4.04
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-ditert-butyl-4-hydroxybenzoyl)oxyhexyl 3,5-ditert-butyl-4-hydroxybenzoate
CID 15333522
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1,3-benzodioxole-5-carboxylate
CID 18085406
4-bromobutyl 3,5-ditert-butyl-4-hydroxybenzoate
CID 20658701
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 18104064
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate
CID 18085468
2-cyanoethyl 3,5-ditert-butyl-4-hydroxybenzoate
CID 3806115
2-(3,5-ditert-butyl-4-hydroxybenzoyl)oxyethanesulfonic acid
CID 161134814
bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl 4-hydroxybenzoate);ethane
CID 158813585
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 55441480
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 8762046
methyl 3-tert-butyl-5-[5-(3-tert-butyl-2-hydroxy-5-methoxycarbonylphenyl)-2,5-dimethylhexan-2-yl]-4-hydroxybenzoate
CID 146363427
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 18104119

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate (CID 71905182) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate is Cc1nnc(COC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate?
The InChIKey is GRGVZJWJHDWYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-11-20-21-15(25-11)10-24-17(23)12-8-13(18(2,3)4)16(22)14(9-12)19(5,6)7/h8-9,22H,10H2,1-7H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate has a molecular weight of 346.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate is sourced from PubChem (CID 71905182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).