2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine

C14H17N3O2 — CID 65331514

IUPAC2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESNCCc1ccccc1-c1nc(C2CCCO2)no1
InChIInChI=1S/C14H17N3O2/c15-8-7-10-4-1-2-5-11(10)14-16-13(17-19-14)12-6-3-9-18-12/h1-2,4-5,12H,3,6-9,15H2
InChIKeyMOKQZLHBFYAQJZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.09
Rot. Bonds4

About 2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine

2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (PubChem CID 65331514) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
PubChem CID65331514
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESNCCc1ccccc1-c1nc(C2CCCO2)no1
InChIInChI=1S/C14H17N3O2/c15-8-7-10-4-1-2-5-11(10)14-16-13(17-19-14)12-6-3-9-18-12/h1-2,4-5,12H,3,6-9,15H2
InChIKeyMOKQZLHBFYAQJZ-UHFFFAOYSA-N
XLogP2.09
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65412676
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65331224
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559126
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904136
2-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 82007721
2-fluoro-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65331106
4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411856
2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65331281
2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 115345494
2-[2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65133289
2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104677302
2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 114287316

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The IUPAC name of 2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (CID 65331514) is 2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is NCCc1ccccc1-c1nc(C2CCCO2)no1.
What is the InChIKey of 2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The InChIKey is MOKQZLHBFYAQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-7-10-4-1-2-5-11(10)14-16-13(17-19-14)12-6-3-9-18-12/h1-2,4-5,12H,3,6-9,15H2.
What are the key properties of 2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine has a molecular weight of 259.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 65331514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).