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

C12H15N3O2 — CID 114183269

IUPAC3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ncno1)c1cccc(O)c1
InChIInChI=1S/C12H15N3O2/c1-9(10-3-2-4-11(16)7-10)13-6-5-12-14-8-15-17-12/h2-4,7-9,13,16H,5-6H2,1H3
InChIKeyCFCDOGFADIQSAX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.67
Rot. Bonds5

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

3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol (PubChem CID 114183269) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
PubChem CID114183269
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
SMILESCC(NCCc1ncno1)c1cccc(O)c1
InChIInChI=1S/C12H15N3O2/c1-9(10-3-2-4-11(16)7-10)13-6-5-12-14-8-15-17-12/h2-4,7-9,13,16H,5-6H2,1H3
InChIKeyCFCDOGFADIQSAX-UHFFFAOYSA-N
XLogP1.67
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 106394975
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
1-(3-chloro-4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106394868
1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106394173
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine
CID 106394842
3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
CID 43202444
1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 114183185
3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 99842719
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170422
3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
CID 43207421
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol (CID 114183269) is 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol is CC(NCCc1ncno1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol?
The InChIKey is CFCDOGFADIQSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(10-3-2-4-11(16)7-10)13-6-5-12-14-8-15-17-12/h2-4,7-9,13,16H,5-6H2,1H3.
What are the key properties of 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol?
3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol has a molecular weight of 233.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 114183269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).