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

C9H17N3O2 — CID 79616272

IUPAC4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCOC(C)c1noc(CCCCN)n1
InChIInChI=1S/C9H17N3O2/c1-7(13-2)9-11-8(14-12-9)5-3-4-6-10/h7H,3-6,10H2,1-2H3
InChIKeyIWRGYSASYKUBAE-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.06
Rot. Bonds6

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

4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 79616272) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID79616272
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCOC(C)c1noc(CCCCN)n1
InChIInChI=1S/C9H17N3O2/c1-7(13-2)9-11-8(14-12-9)5-3-4-6-10/h7H,3-6,10H2,1-2H3
InChIKeyIWRGYSASYKUBAE-UHFFFAOYSA-N
XLogP1.06
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 64540032
3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116704096
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 95757338
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79613895
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116702101
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200735
5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
CID 116701630
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79604897
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-one
CID 79604309
5-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 116702991

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 79616272) is 4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is COC(C)c1noc(CCCCN)n1.
What is the InChIKey of 4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is IWRGYSASYKUBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(13-2)9-11-8(14-12-9)5-3-4-6-10/h7H,3-6,10H2,1-2H3.
What are the key properties of 4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 199.25 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 79616272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).