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

C12H19N3O2 — CID 54924448

IUPACN-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESC1COC(Cc2noc(CCNC3CC3)n2)C1
InChIInChI=1S/C12H19N3O2/c1-2-10(16-7-1)8-11-14-12(17-15-11)5-6-13-9-3-4-9/h9-10,13H,1-8H2
InChIKeyPXFOKNTXWNJLAR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.09
Rot. Bonds6

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

N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 54924448) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID54924448
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESC1COC(Cc2noc(CCNC3CC3)n2)C1
InChIInChI=1S/C12H19N3O2/c1-2-10(16-7-1)8-11-14-12(17-15-11)5-6-13-9-3-4-9/h9-10,13H,1-8H2
InChIKeyPXFOKNTXWNJLAR-UHFFFAOYSA-N
XLogP1.09
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 54924448) is N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is C1COC(Cc2noc(CCNC3CC3)n2)C1.
What is the InChIKey of N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is PXFOKNTXWNJLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-10(16-7-1)8-11-14-12(17-15-11)5-6-13-9-3-4-9/h9-10,13H,1-8H2.
What are the key properties of N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 237.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 54924448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).