4-methoxy-1,2,5-oxadiazole-3-carbonitrile

C4H3N3O2 — CID 82418880

IUPAC4-methoxy-1,2,5-oxadiazole-3-carbonitrile
SMILESCOc1nonc1C#N
InChIInChI=1S/C4H3N3O2/c1-8-4-3(2-5)6-9-7-4/h1H3
InChIKeyNKLVXCBIZOYHQR-UHFFFAOYSA-N
MW125.09 g/mol
LogP-0.05
Rot. Bonds1

About 4-methoxy-1,2,5-oxadiazole-3-carbonitrile

4-methoxy-1,2,5-oxadiazole-3-carbonitrile (PubChem CID 82418880) has the molecular formula C4H3N3O2 and a molecular weight of 125.09 g/mol. Its IUPAC name is 4-methoxy-1,2,5-oxadiazole-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-1,2,5-oxadiazole-3-carbonitrile
PubChem CID82418880
Molecular FormulaC4H3N3O2
Molecular Weight125.09 g/mol
Exact Mass125.02
IUPAC Name4-methoxy-1,2,5-oxadiazole-3-carbonitrile
SMILESCOc1nonc1C#N
InChIInChI=1S/C4H3N3O2/c1-8-4-3(2-5)6-9-7-4/h1H3
InChIKeyNKLVXCBIZOYHQR-UHFFFAOYSA-N
XLogP-0.05
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-methyl-1,2,5-oxadiazole
CID 23261248
5-amino-6-methoxypyrazine-2,3-dicarbonitrile
CID 82254069
4-methoxy-1,2,5-oxadiazole-3-sulfonamide
CID 118705769
5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile
CID 118653036
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
6-amino-3-methoxypyridine-2-carbonitrile
CID 118607484
4-(3-cyano-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole-3-carbonitrile
CID 10726262
6-bromo-3-methoxypyridine-2-carbonitrile
CID 22560740
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665
6-methoxyfuro[2,3-b]pyridine-5-carbonitrile
CID 82411525
5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 146200467
ethane;2-methoxy-4-methylpyridine-3-carbonitrile
CID 143628109

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,2,5-oxadiazole-3-carbonitrile?
The IUPAC name of 4-methoxy-1,2,5-oxadiazole-3-carbonitrile (CID 82418880) is 4-methoxy-1,2,5-oxadiazole-3-carbonitrile.
What is the SMILES notation for 4-methoxy-1,2,5-oxadiazole-3-carbonitrile?
The canonical SMILES for 4-methoxy-1,2,5-oxadiazole-3-carbonitrile is COc1nonc1C#N.
What is the InChIKey of 4-methoxy-1,2,5-oxadiazole-3-carbonitrile?
The InChIKey is NKLVXCBIZOYHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O2/c1-8-4-3(2-5)6-9-7-4/h1H3.
What are the key properties of 4-methoxy-1,2,5-oxadiazole-3-carbonitrile?
4-methoxy-1,2,5-oxadiazole-3-carbonitrile has a molecular weight of 125.09 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2,5-oxadiazole-3-carbonitrile is sourced from PubChem (CID 82418880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).