6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine

C13H25N3O2 — CID 65285400

IUPAC6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
SMILESCCOC(C)c1noc(C(C)CCCC(C)N)n1
InChIInChI=1S/C13H25N3O2/c1-5-17-11(4)12-15-13(18-16-12)9(2)7-6-8-10(3)14/h9-11H,5-8,14H2,1-4H3
InChIKeyFWBKQABYJBWVFC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.79
Rot. Bonds8

About 6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine

6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine (PubChem CID 65285400) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine.

Molecular Properties

Compound Name6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
PubChem CID65285400
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
SMILESCCOC(C)c1noc(C(C)CCCC(C)N)n1
InChIInChI=1S/C13H25N3O2/c1-5-17-11(4)12-15-13(18-16-12)9(2)7-6-8-10(3)14/h9-11H,5-8,14H2,1-4H3
InChIKeyFWBKQABYJBWVFC-UHFFFAOYSA-N
XLogP2.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116701890
6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116702190
6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 65285729
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 64539630
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64538990
6-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285104
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 64533837
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 64540032
6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 104609629
6-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285003
6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 116807269
5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 79605448

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The IUPAC name of 6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine (CID 65285400) is 6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine.
What is the SMILES notation for 6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The canonical SMILES for 6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine is CCOC(C)c1noc(C(C)CCCC(C)N)n1.
What is the InChIKey of 6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The InChIKey is FWBKQABYJBWVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-17-11(4)12-15-13(18-16-12)9(2)7-6-8-10(3)14/h9-11H,5-8,14H2,1-4H3.
What are the key properties of 6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine is sourced from PubChem (CID 65285400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).