5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C18H24N2O5 — CID 124841769

IUPAC5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc([C@@H]3CCO[C@@H]3C(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C18H24N2O5/c1-10(2)15-12(6-7-24-15)18-19-17(20-25-18)11-8-13(21-3)16(23-5)14(9-11)22-4/h8-10,12,15H,6-7H2,1-5H3/t12-,15-/m1/s1
InChIKeyBCDBENYDKMXUOE-IUODEOHRSA-N
MW348.40 g/mol
LogP3.29
Rot. Bonds6

About 5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 124841769) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID124841769
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc([C@@H]3CCO[C@@H]3C(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C18H24N2O5/c1-10(2)15-12(6-7-24-15)18-19-17(20-25-18)11-8-13(21-3)16(23-5)14(9-11)22-4/h8-10,12,15H,6-7H2,1-5H3/t12-,15-/m1/s1
InChIKeyBCDBENYDKMXUOE-IUODEOHRSA-N
XLogP3.29
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 847024
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole
CID 124848377
3-(6-piperidin-1-yl-3-pyridinyl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole
CID 124851589
3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 119948259
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
(4-methylphenyl)-[(3R)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1457150
5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 73221593
2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008116
2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 103399802
3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
CID 156591265
4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.2]octan-1-amine
CID 155517714

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 124841769) is 5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(-c2noc([C@@H]3CCO[C@@H]3C(C)C)n2)cc(OC)c1OC.
What is the InChIKey of 5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is BCDBENYDKMXUOE-IUODEOHRSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-10(2)15-12(6-7-24-15)18-19-17(20-25-18)11-8-13(21-3)16(23-5)14(9-11)22-4/h8-10,12,15H,6-7H2,1-5H3/t12-,15-/m1/s1.
What are the key properties of 5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 348.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 124841769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).