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

C12H21N3O2 — CID 55151254

IUPACN-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(C2CCCOC2)o1
InChIInChI=1S/C12H21N3O2/c1-9(2)13-6-5-11-14-15-12(17-11)10-4-3-7-16-8-10/h9-10,13H,3-8H2,1-2H3
InChIKeyGGSLHRMEYJKEOC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.50
Rot. Bonds5

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

N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 55151254) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID55151254
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(C2CCCOC2)o1
InChIInChI=1S/C12H21N3O2/c1-9(2)13-6-5-11-14-15-12(17-11)10-4-3-7-16-8-10/h9-10,13H,3-8H2,1-2H3
InChIKeyGGSLHRMEYJKEOC-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 114241677
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138936
N-[2-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 64905825
N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 107003049
N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 63014214
2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 167743789
N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164844
3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 65332325
2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 63012070
3,3-dimethyl-4-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55151252
N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183813
2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 126990027

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 55151254) is N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1nnc(C2CCCOC2)o1.
What is the InChIKey of N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is GGSLHRMEYJKEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)13-6-5-11-14-15-12(17-11)10-4-3-7-16-8-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 55151254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).