4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

C6H7N5O3 — CID 62808401

IUPAC4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESCOCc1noc(-c2nonc2N)n1
InChIInChI=1S/C6H7N5O3/c1-12-2-3-8-6(13-9-3)4-5(7)11-14-10-4/h2H2,1H3,(H2,7,11)
InChIKeyGGNODBHCARUJPG-UHFFFAOYSA-N
MW197.15 g/mol
LogP-0.15
Rot. Bonds3

About 4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 62808401) has the molecular formula C6H7N5O3 and a molecular weight of 197.15 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID62808401
Molecular FormulaC6H7N5O3
Molecular Weight197.15 g/mol
Exact Mass197.05
IUPAC Name4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESCOCc1noc(-c2nonc2N)n1
InChIInChI=1S/C6H7N5O3/c1-12-2-3-8-6(13-9-3)4-5(7)11-14-10-4/h2H2,1H3,(H2,7,11)
InChIKeyGGNODBHCARUJPG-UHFFFAOYSA-N
XLogP-0.15
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 62808401) is 4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is COCc1noc(-c2nonc2N)n1.
What is the InChIKey of 4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is GGNODBHCARUJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O3/c1-12-2-3-8-6(13-9-3)4-5(7)11-14-10-4/h2H2,1H3,(H2,7,11).
What are the key properties of 4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 197.15 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62808401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).