4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine

C6H7N5O2 — CID 62806086

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESCCc1noc(-c2nonc2N)n1
InChIInChI=1S/C6H7N5O2/c1-2-3-8-6(12-9-3)4-5(7)11-13-10-4/h2H2,1H3,(H2,7,11)
InChIKeyZKHNNSOXOTWTCI-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.26
Rot. Bonds2

About 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62806086) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62806086
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESCCc1noc(-c2nonc2N)n1
InChIInChI=1S/C6H7N5O2/c1-2-3-8-6(12-9-3)4-5(7)11-13-10-4/h2H2,1H3,(H2,7,11)
InChIKeyZKHNNSOXOTWTCI-UHFFFAOYSA-N
XLogP0.26
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808401
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62808217
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 66064768
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 63717385
4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 103472541
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62805907
4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808037
4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 63024030
5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631887
5-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 30029519
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-ethyl-5-(3-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 118348723

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (CID 62806086) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is CCc1noc(-c2nonc2N)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is ZKHNNSOXOTWTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-2-3-8-6(12-9-3)4-5(7)11-13-10-4/h2H2,1H3,(H2,7,11).
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 181.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62806086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).