3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine

C13H23N3O2 — CID 116703876

IUPAC3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCOC(c1noc(C(N)(CC)CC)n1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-4-13(14,5-2)12-15-11(16-18-12)10(17-6-3)9-7-8-9/h9-10H,4-8,14H2,1-3H3
InChIKeyFFDZXXPQPUPTPE-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.53
Rot. Bonds7

About 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine

3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 116703876) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID116703876
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCOC(c1noc(C(N)(CC)CC)n1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-4-13(14,5-2)12-15-11(16-18-12)10(17-6-3)9-7-8-9/h9-10H,4-8,14H2,1-3H3
InChIKeyFFDZXXPQPUPTPE-UHFFFAOYSA-N
XLogP2.53
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 116703876) is 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCOC(c1noc(C(N)(CC)CC)n1)C1CC1.
What is the InChIKey of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is FFDZXXPQPUPTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-13(14,5-2)12-15-11(16-18-12)10(17-6-3)9-7-8-9/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 253.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 116703876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).