(4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate

C5H6N2O4 — CID 153434860

IUPAC(4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate
SMILESCOc1nonc1COC=O
InChIInChI=1S/C5H6N2O4/c1-9-5-4(2-10-3-8)6-11-7-5/h3H,2H2,1H3
InChIKeyNZGSVLBBRXDSIM-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.25
Rot. Bonds4

About (4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate

(4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate (PubChem CID 153434860) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is (4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate.

Molecular Properties

Compound Name(4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate
PubChem CID153434860
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name(4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate
SMILESCOc1nonc1COC=O
InChIInChI=1S/C5H6N2O4/c1-9-5-4(2-10-3-8)6-11-7-5/h3H,2H2,1H3
InChIKeyNZGSVLBBRXDSIM-UHFFFAOYSA-N
XLogP-0.25
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate?
The IUPAC name of (4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate (CID 153434860) is (4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate.
What is the SMILES notation for (4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate?
The canonical SMILES for (4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate is COc1nonc1COC=O.
What is the InChIKey of (4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate?
The InChIKey is NZGSVLBBRXDSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c1-9-5-4(2-10-3-8)6-11-7-5/h3H,2H2,1H3.
What are the key properties of (4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate?
(4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate has a molecular weight of 158.11 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate is sourced from PubChem (CID 153434860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).