[4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate

C14H10N2O4 — CID 24981890

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)Oc2ccc(-c3nnco3)cc2)o1
InChIInChI=1S/C14H10N2O4/c1-9-2-7-12(19-9)14(17)20-11-5-3-10(4-6-11)13-16-15-8-18-13/h2-8H,1H3
InChIKeyDZNHDOWISPFQOL-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.86
Rot. Bonds3

About [4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate

[4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate (PubChem CID 24981890) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate
PubChem CID24981890
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)Oc2ccc(-c3nnco3)cc2)o1
InChIInChI=1S/C14H10N2O4/c1-9-2-7-12(19-9)14(17)20-11-5-3-10(4-6-11)13-16-15-8-18-13/h2-8H,1H3
InChIKeyDZNHDOWISPFQOL-UHFFFAOYSA-N
XLogP2.86
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate (CID 24981890) is [4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)Oc2ccc(-c3nnco3)cc2)o1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate?
The InChIKey is DZNHDOWISPFQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-9-2-7-12(19-9)14(17)20-11-5-3-10(4-6-11)13-16-15-8-18-13/h2-8H,1H3.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate has a molecular weight of 270.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] 5-methylfuran-2-carboxylate is sourced from PubChem (CID 24981890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).