ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C18H16N2O5S — CID 135467625

IUPACethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(/N=C/c2nc(-c3ccco3)oc2O)sc2c1CCC2
InChIInChI=1S/C18H16N2O5S/c1-2-23-18(22)14-10-5-3-7-13(10)26-16(14)19-9-11-17(21)25-15(20-11)12-6-4-8-24-12/h4,6,8-9,21H,2-3,5,7H2,1H3/b19-9+
InChIKeyIPOPADJAYSFCGJ-DJKKODMXSA-N
MW372.40 g/mol
LogP4.12
Rot. Bonds5

About ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 135467625) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID135467625
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Nameethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(/N=C/c2nc(-c3ccco3)oc2O)sc2c1CCC2
InChIInChI=1S/C18H16N2O5S/c1-2-23-18(22)14-10-5-3-7-13(10)26-16(14)19-9-11-17(21)25-15(20-11)12-6-4-8-24-12/h4,6,8-9,21H,2-3,5,7H2,1H3/b19-9+
InChIKeyIPOPADJAYSFCGJ-DJKKODMXSA-N
XLogP4.12
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[(2-methylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23940902
ethyl 2-[(2-hydroxy-3-methylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3881430
copper;2-[(E)-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]phenolate;nitrate
CID 11655397
ethyl 2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23735664
ethyl 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 135709898
ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4529250
ethyl 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1023971
ethyl 2-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 135832386
ethyl 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 135726587
4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-nitrophenolate
CID 7121548
ethyl 2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 136914502
ethyl 2-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 126073884

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 135467625) is ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is CCOC(=O)c1c(/N=C/c2nc(-c3ccco3)oc2O)sc2c1CCC2.
What is the InChIKey of ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is IPOPADJAYSFCGJ-DJKKODMXSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-2-23-18(22)14-10-5-3-7-13(10)26-16(14)19-9-11-17(21)25-15(20-11)12-6-4-8-24-12/h4,6,8-9,21H,2-3,5,7H2,1H3/b19-9+.
What are the key properties of ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 372.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 135467625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).