5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine

C9H15N3O2 — CID 103166250

IUPAC5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESCCOC1CC(Cc2nc(N)no2)C1
InChIInChI=1S/C9H15N3O2/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKeyWZMKYNDKHIWGMX-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.01
Rot. Bonds4

About 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine

5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 103166250) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID103166250
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESCCOC1CC(Cc2nc(N)no2)C1
InChIInChI=1S/C9H15N3O2/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKeyWZMKYNDKHIWGMX-UHFFFAOYSA-N
XLogP1.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103166238
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 103166233
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103166227
3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine
CID 103164213
5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine
CID 103167470
5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine
CID 103162624
3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine
CID 103164225
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
CID 114458859
5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 115077247
4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 103162628
dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate
CID 103162282
5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 65159319

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine (CID 103166250) is 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine is CCOC1CC(Cc2nc(N)no2)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is WZMKYNDKHIWGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3,(H2,10,12).
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine?
5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 197.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 103166250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).