5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol

C12H15N3O3 — CID 106396467

IUPAC5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
SMILESCC(NCCc1ncon1)c1cc(O)cc(O)c1
InChIInChI=1S/C12H15N3O3/c1-8(9-4-10(16)6-11(17)5-9)13-3-2-12-14-7-18-15-12/h4-8,13,16-17H,2-3H2,1H3
InChIKeyHJDPUSQAZCIZCM-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.37
Rot. Bonds5

About 5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol

5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol (PubChem CID 106396467) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
PubChem CID106396467
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
SMILESCC(NCCc1ncon1)c1cc(O)cc(O)c1
InChIInChI=1S/C12H15N3O3/c1-8(9-4-10(16)6-11(17)5-9)13-3-2-12-14-7-18-15-12/h4-8,13,16-17H,2-3H2,1H3
InChIKeyHJDPUSQAZCIZCM-UHFFFAOYSA-N
XLogP1.37
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106395538
1-(3-fluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395709
1-(4-methylsulfanylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395806
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 114183507
1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395346
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-yn-2-amine
CID 106400759
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 106395308
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 106395347
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-2-amine
CID 106400522
6-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 106396189
1-(2,5-difluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396288
1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 114183393

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol (CID 106396467) is 5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol is CC(NCCc1ncon1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol?
The InChIKey is HJDPUSQAZCIZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(9-4-10(16)6-11(17)5-9)13-3-2-12-14-7-18-15-12/h4-8,13,16-17H,2-3H2,1H3.
What are the key properties of 5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol?
5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol has a molecular weight of 249.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 106396467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).