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

C12H21N3O2 — CID 113361978

IUPACN-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(CC2CCOC2)no1
InChIInChI=1S/C12H21N3O2/c1-3-13-7-9(2)12-14-11(15-17-12)6-10-4-5-16-8-10/h9-10,13H,3-8H2,1-2H3
InChIKeyZVGFUXJVCKTZSW-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.36
Rot. Bonds6

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

N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 113361978) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID113361978
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(CC2CCOC2)no1
InChIInChI=1S/C12H21N3O2/c1-3-13-7-9(2)12-14-11(15-17-12)6-10-4-5-16-8-10/h9-10,13H,3-8H2,1-2H3
InChIKeyZVGFUXJVCKTZSW-UHFFFAOYSA-N
XLogP1.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 113361978) is N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCNCC(C)c1nc(CC2CCOC2)no1.
What is the InChIKey of N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is ZVGFUXJVCKTZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-13-7-9(2)12-14-11(15-17-12)6-10-4-5-16-8-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 113361978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).