4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine

C9H17N3O2 — CID 106399897

IUPAC4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
SMILESCOCCCCNCCc1ncno1
InChIInChI=1S/C9H17N3O2/c1-13-7-3-2-5-10-6-4-9-11-8-12-14-9/h8,10H,2-7H2,1H3
InChIKeyUHFYOJLFNGAYCE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.63
Rot. Bonds8

About 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine

4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine (PubChem CID 106399897) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
PubChem CID106399897
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
SMILESCOCCCCNCCc1ncno1
InChIInChI=1S/C9H17N3O2/c1-13-7-3-2-5-10-6-4-9-11-8-12-14-9/h8,10H,2-7H2,1H3
InChIKeyUHFYOJLFNGAYCE-UHFFFAOYSA-N
XLogP0.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.63
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

5-(5-methoxypentyl)-1,2,4-oxadiazole
CID 67274675
1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395704
3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106394350
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399868
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399915
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106399887
ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399552
N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82238026
1-hexoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399827
methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399515

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The IUPAC name of 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine (CID 106399897) is 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine is COCCCCNCCc1ncno1.
What is the InChIKey of 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
The InChIKey is UHFYOJLFNGAYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-13-7-3-2-5-10-6-4-9-11-8-12-14-9/h8,10H,2-7H2,1H3.
What are the key properties of 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine?
4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine has a molecular weight of 199.25 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine is sourced from PubChem (CID 106399897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).