[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

C15H12N2O4S — CID 7623587

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccco2)o1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H12N2O4S/c18-15(12-7-9-3-1-5-11(9)22-12)20-8-13-16-17-14(21-13)10-4-2-6-19-10/h2,4,6-7H,1,3,5,8H2
InChIKeyOOHYHQAQKKFUNG-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.24
Rot. Bonds4

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate (PubChem CID 7623587) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
PubChem CID7623587
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccco2)o1)c1cc2c(s1)CCC2
InChIInChI=1S/C15H12N2O4S/c18-15(12-7-9-3-1-5-11(9)22-12)20-8-13-16-17-14(21-13)10-4-2-6-19-10/h2,4,6-7H,1,3,5,8H2
InChIKeyOOHYHQAQKKFUNG-UHFFFAOYSA-N
XLogP3.24
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate with MolForge

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7792093
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 4796763
[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 71898605
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7830696
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate
CID 8630987
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenoxybenzoate
CID 7985148
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014045
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate
CID 7838320
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 2665035
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-nitrofuran-2-carboxylate
CID 9454803

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate (CID 7623587) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate is O=C(OCc1nnc(-c2ccco2)o1)c1cc2c(s1)CCC2.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The InChIKey is OOHYHQAQKKFUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c18-15(12-7-9-3-1-5-11(9)22-12)20-8-13-16-17-14(21-13)10-4-2-6-19-10/h2,4,6-7H,1,3,5,8H2.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate has a molecular weight of 316.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate is sourced from PubChem (CID 7623587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).