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

C12H21N3O2 — CID 62818334

IUPACN-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(CC2CCCO2)no1
InChIInChI=1S/C12H21N3O2/c1-4-13-12(2,3)11-14-10(15-17-11)8-9-6-5-7-16-9/h9,13H,4-8H2,1-3H3
InChIKeyWRIRFTCWLINFGO-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.64
Rot. Bonds5

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

N-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 62818334) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID62818334
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(CC2CCCO2)no1
InChIInChI=1S/C12H21N3O2/c1-4-13-12(2,3)11-14-10(15-17-11)8-9-6-5-7-16-9/h9,13H,4-8H2,1-3H3
InChIKeyWRIRFTCWLINFGO-UHFFFAOYSA-N
XLogP1.64
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.64
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-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 62818334) is N-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(C)(C)c1nc(CC2CCCO2)no1.
What is the InChIKey of N-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is WRIRFTCWLINFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-13-12(2,3)11-14-10(15-17-11)8-9-6-5-7-16-9/h9,13H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.64, 5 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-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 62818334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).