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

C4H6N2O2 — CID 23261248

IUPAC3-methoxy-4-methyl-1,2,5-oxadiazole
SMILESCOc1nonc1C
InChIInChI=1S/C4H6N2O2/c1-3-4(7-2)6-8-5-3/h1-2H3
InChIKeyNBJSKPRTMMQTDF-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.39
Rot. Bonds1

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

3-methoxy-4-methyl-1,2,5-oxadiazole (PubChem CID 23261248) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 3-methoxy-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methoxy-4-methyl-1,2,5-oxadiazole
PubChem CID23261248
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name3-methoxy-4-methyl-1,2,5-oxadiazole
SMILESCOc1nonc1C
InChIInChI=1S/C4H6N2O2/c1-3-4(7-2)6-8-5-3/h1-2H3
InChIKeyNBJSKPRTMMQTDF-UHFFFAOYSA-N
XLogP0.39
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1,2,5-oxadiazole-3-carbonitrile
CID 82418880
1-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propan-2-amine;hydrochloride
CID 117071701
4-methoxy-1,2,5-oxadiazole-3-sulfonamide
CID 118705769
(NE)-N-[1-(4-methoxy-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
CID 142341950
3-(1-adamantylmethoxy)-4-methyl-1,2,5-oxadiazole
CID 2952018
5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 146200467
(4-methoxy-1,2,5-oxadiazol-3-yl)methyl formate
CID 153434860
N-(3,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazol-3-amine
CID 157019147
4-ethyl-3-methoxy-5-methyl-1,2-oxazole
CID 122546056
CID 174071935
CID 174071935
5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1385785
2,5-difluoro-3-methoxy-6-methylpyrazine
CID 23235406

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-methoxy-4-methyl-1,2,5-oxadiazole (CID 23261248) is 3-methoxy-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-methoxy-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-methoxy-4-methyl-1,2,5-oxadiazole is COc1nonc1C.
What is the InChIKey of 3-methoxy-4-methyl-1,2,5-oxadiazole?
The InChIKey is NBJSKPRTMMQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-3-4(7-2)6-8-5-3/h1-2H3.
What are the key properties of 3-methoxy-4-methyl-1,2,5-oxadiazole?
3-methoxy-4-methyl-1,2,5-oxadiazole has a molecular weight of 114.10 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 23261248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).