[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

C21H18N2O5 — CID 7630369

IUPAC[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)oc2ccccc12
InChIInChI=1S/C21H18N2O5/c1-13(19-22-23-20(28-19)14-8-4-3-5-9-14)26-21(24)18-16(12-25-2)15-10-6-7-11-17(15)27-18/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyIUYBXBWRZIZMNF-CYBMUJFWSA-N
MW378.38 g/mol
LogP4.55
Rot. Bonds6

About [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 7630369) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID7630369
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)oc2ccccc12
InChIInChI=1S/C21H18N2O5/c1-13(19-22-23-20(28-19)14-8-4-3-5-9-14)26-21(24)18-16(12-25-2)15-10-6-7-11-17(15)27-18/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyIUYBXBWRZIZMNF-CYBMUJFWSA-N
XLogP4.55
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 8600673
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-(methoxymethyl)benzoate
CID 7627264
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 9065294
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 9060583
1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 55504941
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551286
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 8872478
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 8870596
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8955001
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chlorobenzoate
CID 7603572
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate
CID 18196843

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 7630369) is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)oc2ccccc12.
What is the InChIKey of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is IUYBXBWRZIZMNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-13(19-22-23-20(28-19)14-8-4-3-5-9-14)26-21(24)18-16(12-25-2)15-10-6-7-11-17(15)27-18/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 378.38 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7630369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).