[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate

C22H19N3O5S — CID 31532211

IUPAC[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
SMILESO=C(OCc1noc(-c2ccco2)n1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H19N3O5S/c26-22(29-14-19-23-20(30-24-19)17-7-4-10-28-17)18-13-16(15-5-2-1-3-6-15)21(31-18)25-8-11-27-12-9-25/h1-7,10,13H,8-9,11-12,14H2
InChIKeyHEMPVIYCVFFGLA-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.25
Rot. Bonds6

About [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate

[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate (PubChem CID 31532211) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
PubChem CID31532211
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
SMILESO=C(OCc1noc(-c2ccco2)n1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H19N3O5S/c26-22(29-14-19-23-20(30-24-19)17-7-4-10-28-17)18-13-16(15-5-2-1-3-6-15)21(31-18)25-8-11-27-12-9-25/h1-7,10,13H,8-9,11-12,14H2
InChIKeyHEMPVIYCVFFGLA-UHFFFAOYSA-N
XLogP4.25
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate (CID 31532211) is [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate is O=C(OCc1noc(-c2ccco2)n1)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The InChIKey is HEMPVIYCVFFGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c26-22(29-14-19-23-20(30-24-19)17-7-4-10-28-17)18-13-16(15-5-2-1-3-6-15)21(31-18)25-8-11-27-12-9-25/h1-7,10,13H,8-9,11-12,14H2.
What are the key properties of [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate has a molecular weight of 437.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate is sourced from PubChem (CID 31532211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).