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

C9H15N3O2 — CID 115292520

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESCCc1noc(C2(N)CCOCC2)n1
InChIInChI=1S/C9H15N3O2/c1-2-7-11-8(14-12-7)9(10)3-5-13-6-4-9/h2-6,10H2,1H3
InChIKeyMGJIHRHCWNHTCE-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.60
Rot. Bonds2

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

4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine (PubChem CID 115292520) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
PubChem CID115292520
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESCCc1noc(C2(N)CCOCC2)n1
InChIInChI=1S/C9H15N3O2/c1-2-7-11-8(14-12-7)9(10)3-5-13-6-4-9/h2-6,10H2,1H3
InChIKeyMGJIHRHCWNHTCE-UHFFFAOYSA-N
XLogP0.60
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-aminooxan-4-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808189
4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292653
[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450843
4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292632
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64890771
1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 79404339
4-(3-ethyl-1,2,4-thiadiazol-5-yl)oxan-4-amine
CID 130545646
4-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292627
4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292615
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292613
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65130648
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106814548

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine (CID 115292520) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine is CCc1noc(C2(N)CCOCC2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The InChIKey is MGJIHRHCWNHTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-7-11-8(14-12-7)9(10)3-5-13-6-4-9/h2-6,10H2,1H3.
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine has a molecular weight of 197.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine is sourced from PubChem (CID 115292520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).