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

C20H20N2O6 — CID 9203464

IUPAC[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate
SMILESCOc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(OC)c3OC)o2)cc1
InChIInChI=1S/C20H20N2O6/c1-12(27-20(23)15-6-5-7-16(25-3)17(15)26-4)18-21-22-19(28-18)13-8-10-14(24-2)11-9-13/h5-12H,1-4H3/t12-/m1/s1
InChIKeyKTLLWZFJQNLAQR-GFCCVEGCSA-N
MW384.39 g/mol
LogP3.68
Rot. Bonds7

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

[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate (PubChem CID 9203464) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is [(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate.

Molecular Properties

Compound Name[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate
PubChem CID9203464
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate
SMILESCOc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(OC)c3OC)o2)cc1
InChIInChI=1S/C20H20N2O6/c1-12(27-20(23)15-6-5-7-16(25-3)17(15)26-4)18-21-22-19(28-18)13-8-10-14(24-2)11-9-13/h5-12H,1-4H3/t12-/m1/s1
InChIKeyKTLLWZFJQNLAQR-GFCCVEGCSA-N
XLogP3.68
TPSA92.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate with MolForge

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Related Compounds

[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] naphthalene-1-carboxylate
CID 9290248
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methylbenzoate
CID 9202539
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-ethoxybenzoate
CID 9197557
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-hydroxy-3-methoxybenzoate
CID 46824784
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-acetamido-3-methylbenzoate
CID 30603830
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-acetamido-3-methylbenzoate
CID 18277672
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644714
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644708
[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methoxybenzoate
CID 9414550
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chloro-4-fluorobenzoate
CID 9342995
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-fluorobenzoate
CID 9198579

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate?
The IUPAC name of [(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate (CID 9203464) is [(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate.
What is the SMILES notation for [(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate?
The canonical SMILES for [(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate is COc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(OC)c3OC)o2)cc1.
What is the InChIKey of [(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate?
The InChIKey is KTLLWZFJQNLAQR-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-12(27-20(23)15-6-5-7-16(25-3)17(15)26-4)18-21-22-19(28-18)13-8-10-14(24-2)11-9-13/h5-12H,1-4H3/t12-/m1/s1.
What are the key properties of [(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate?
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate has a molecular weight of 384.39 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,3-dimethoxybenzoate is sourced from PubChem (CID 9203464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).