[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate

C17H22N2O5 — CID 31437668

IUPAC[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)cc1OC
InChIInChI=1S/C17H22N2O5/c1-10(14-18-16(19-24-14)17(2,3)4)23-15(20)11-7-8-12(21-5)13(9-11)22-6/h7-10H,1-6H3/t10-/m1/s1
InChIKeyWZWIBWRONRRPJJ-SNVBAGLBSA-N
MW334.37 g/mol
LogP3.30
Rot. Bonds5

About [(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate

[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate (PubChem CID 31437668) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is [(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate
PubChem CID31437668
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)cc1OC
InChIInChI=1S/C17H22N2O5/c1-10(14-18-16(19-24-14)17(2,3)4)23-15(20)11-7-8-12(21-5)13(9-11)22-6/h7-10H,1-6H3/t10-/m1/s1
InChIKeyWZWIBWRONRRPJJ-SNVBAGLBSA-N
XLogP3.30
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(trifluoromethyl)benzoate
CID 55544853
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-chloroquinoline-6-carboxylate
CID 55999052
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-prop-2-enoxybenzoate
CID 55569608
[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 31531796
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 51932454
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-ethoxy-4-methoxybenzoate
CID 55537335
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate
CID 95347851
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55546419
[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 5-methylpyrazine-2-carboxylate
CID 31437481
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-methylfuran-3-carboxylate
CID 31531901
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
CID 55553227
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55563446

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate?
The IUPAC name of [(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate (CID 31437668) is [(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate is COc1ccc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)cc1OC.
What is the InChIKey of [(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate?
The InChIKey is WZWIBWRONRRPJJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-10(14-18-16(19-24-14)17(2,3)4)23-15(20)11-7-8-12(21-5)13(9-11)22-6/h7-10H,1-6H3/t10-/m1/s1.
What are the key properties of [(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate?
[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate has a molecular weight of 334.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 31437668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).