2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol

C11H13N3O2 — CID 104827116

IUPAC2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCNc1ccccc1-c1nc(CCO)no1
InChIInChI=1S/C11H13N3O2/c1-12-9-5-3-2-4-8(9)11-13-10(6-7-15)14-16-11/h2-5,12,15H,6-7H2,1H3
InChIKeyFODBWPODHTVSLR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.31
Rot. Bonds4

About 2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol

2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104827116) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104827116
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCNc1ccccc1-c1nc(CCO)no1
InChIInChI=1S/C11H13N3O2/c1-12-9-5-3-2-4-8(9)11-13-10(6-7-15)14-16-11/h2-5,12,15H,6-7H2,1H3
InChIKeyFODBWPODHTVSLR-UHFFFAOYSA-N
XLogP1.31
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 43670382
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715487
2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115079288
5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790321
2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137002850
4-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888916
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
CID 136712503
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 107280132
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62344085

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 104827116) is 2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol is CNc1ccccc1-c1nc(CCO)no1.
What is the InChIKey of 2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is FODBWPODHTVSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-12-9-5-3-2-4-8(9)11-13-10(6-7-15)14-16-11/h2-5,12,15H,6-7H2,1H3.
What are the key properties of 2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 219.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104827116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).