2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one

C15H8N2O4 — CID 135867848

IUPAC2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one
SMILESO=C1C(c2nnc(-c3ccco3)o2)=C(O)c2ccccc21
InChIInChI=1S/C15H8N2O4/c18-12-8-4-1-2-5-9(8)13(19)11(12)15-17-16-14(21-15)10-6-3-7-20-10/h1-7,18H
InChIKeyRPLXKKJRYKCNLG-UHFFFAOYSA-N
MW280.24 g/mol
LogP2.95
Rot. Bonds2

About 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one

2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one (PubChem CID 135867848) has the molecular formula C15H8N2O4 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one
PubChem CID135867848
Molecular FormulaC15H8N2O4
Molecular Weight280.24 g/mol
Exact Mass280.05
IUPAC Name2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one
SMILESO=C1C(c2nnc(-c3ccco3)o2)=C(O)c2ccccc21
InChIInChI=1S/C15H8N2O4/c18-12-8-4-1-2-5-9(8)13(19)11(12)15-17-16-14(21-15)10-6-3-7-20-10/h1-7,18H
InChIKeyRPLXKKJRYKCNLG-UHFFFAOYSA-N
XLogP2.95
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-2-methylinden-1-one
CID 23727587
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
2-(2,5-dimethylfuran-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 45098138
3-hydroxy-2-quinolin-4-ylinden-1-one
CID 3135549
2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid
CID 138601815
3-hydroxy-2-pyrimidin-4-ylinden-1-one
CID 135507037
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9362957
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 82020897
2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 766025
2-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254453

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one (CID 135867848) is 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one is O=C1C(c2nnc(-c3ccco3)o2)=C(O)c2ccccc21.
What is the InChIKey of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one?
The InChIKey is RPLXKKJRYKCNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O4/c18-12-8-4-1-2-5-9(8)13(19)11(12)15-17-16-14(21-15)10-6-3-7-20-10/h1-7,18H.
What are the key properties of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one?
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one has a molecular weight of 280.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135867848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).