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

C12H21N3O2 — CID 55124494

IUPACN-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNC(CC)c1nnc(C2CCCCO2)o1
InChIInChI=1S/C12H21N3O2/c1-3-9(13-4-2)11-14-15-12(17-11)10-7-5-6-8-16-10/h9-10,13H,3-8H2,1-2H3
InChIKeyDHFSBQHVOQJIEC-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.37
Rot. Bonds5

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

N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 55124494) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID55124494
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNC(CC)c1nnc(C2CCCCO2)o1
InChIInChI=1S/C12H21N3O2/c1-3-9(13-4-2)11-14-15-12(17-11)10-7-5-6-8-16-10/h9-10,13H,3-8H2,1-2H3
InChIKeyDHFSBQHVOQJIEC-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 55124494) is N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCNC(CC)c1nnc(C2CCCCO2)o1.
What is the InChIKey of N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is DHFSBQHVOQJIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-9(13-4-2)11-14-15-12(17-11)10-7-5-6-8-16-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 55124494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).