N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C13H23N3O2 — CID 55202990

IUPACN-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(CC)Cc1nc(CC2CCCO2)no1
InChIInChI=1S/C13H23N3O2/c1-3-10(14-4-2)8-13-15-12(16-18-13)9-11-6-5-7-17-11/h10-11,14H,3-9H2,1-2H3
InChIKeyWZAGFCLRCZNBMD-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.72
Rot. Bonds7

About N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 55202990) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID55202990
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(CC)Cc1nc(CC2CCCO2)no1
InChIInChI=1S/C13H23N3O2/c1-3-10(14-4-2)8-13-15-12(16-18-13)9-11-6-5-7-17-11/h10-11,14H,3-9H2,1-2H3
InChIKeyWZAGFCLRCZNBMD-UHFFFAOYSA-N
XLogP1.72
TPSA60.18 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 55202990) is N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(CC)Cc1nc(CC2CCCO2)no1.
What is the InChIKey of N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is WZAGFCLRCZNBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-10(14-4-2)8-13-15-12(16-18-13)9-11-6-5-7-17-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 55202990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).