[3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate

C8H10N2O6 — CID 142649290

IUPAC[3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate
SMILESCc1noc(C2OC(OC=O)C(O)C2O)n1
InChIInChI=1S/C8H10N2O6/c1-3-9-7(16-10-3)6-4(12)5(13)8(15-6)14-2-11/h2,4-6,8,12-13H,1H3
InChIKeyXEYQSJAAXQAHTI-UHFFFAOYSA-N
MW230.18 g/mol
LogP-1.33
Rot. Bonds3

About [3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate

[3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate (PubChem CID 142649290) has the molecular formula C8H10N2O6 and a molecular weight of 230.18 g/mol. Its IUPAC name is [3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate.

Molecular Properties

Compound Name[3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate
PubChem CID142649290
Molecular FormulaC8H10N2O6
Molecular Weight230.18 g/mol
Exact Mass230.05
IUPAC Name[3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate
SMILESCc1noc(C2OC(OC=O)C(O)C2O)n1
InChIInChI=1S/C8H10N2O6/c1-3-9-7(16-10-3)6-4(12)5(13)8(15-6)14-2-11/h2,4-6,8,12-13H,1H3
InChIKeyXEYQSJAAXQAHTI-UHFFFAOYSA-N
XLogP-1.33
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate?
The IUPAC name of [3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate (CID 142649290) is [3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate.
What is the SMILES notation for [3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate?
The canonical SMILES for [3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate is Cc1noc(C2OC(OC=O)C(O)C2O)n1.
What is the InChIKey of [3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate?
The InChIKey is XEYQSJAAXQAHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6/c1-3-9-7(16-10-3)6-4(12)5(13)8(15-6)14-2-11/h2,4-6,8,12-13H,1H3.
What are the key properties of [3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate?
[3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate has a molecular weight of 230.18 g/mol, XLogP of -1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydroxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl] formate is sourced from PubChem (CID 142649290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).