(2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol

C13H17N3O2 — CID 22853920

IUPAC(2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol
SMILESCC(NC[C@H](C)O)c1cccc(-c2ncno2)c1
InChIInChI=1S/C13H17N3O2/c1-9(17)7-14-10(2)11-4-3-5-12(6-11)13-15-8-16-18-13/h3-6,8-10,14,17H,7H2,1-2H3/t9-,10?/m0/s1
InChIKeyFEMVIBJCRARVMT-RGURZIINSA-N
MW247.30 g/mol
LogP1.77
Rot. Bonds5

About (2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol

(2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol (PubChem CID 22853920) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol
PubChem CID22853920
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol
SMILESCC(NC[C@H](C)O)c1cccc(-c2ncno2)c1
InChIInChI=1S/C13H17N3O2/c1-9(17)7-14-10(2)11-4-3-5-12(6-11)13-15-8-16-18-13/h3-6,8-10,14,17H,7H2,1-2H3/t9-,10?/m0/s1
InChIKeyFEMVIBJCRARVMT-RGURZIINSA-N
XLogP1.77
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexylmethyl-[(2R)-2-hydroxy-3-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propyl]phosphinic acid
CID 67566559
(2S)-1-[1-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethylamino]propan-2-ol
CID 22853921
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
CID 114183269
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
[(2S)-3-[1-[3-(3-amino-1,2,4-oxadiazol-5-yl)phenyl]ethylamino]-2-hydroxypropyl]-benzylphosphinic acid
CID 67566538
(2R)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906795
(2S)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906460

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol?
The IUPAC name of (2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol (CID 22853920) is (2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol is CC(NC[C@H](C)O)c1cccc(-c2ncno2)c1.
What is the InChIKey of (2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol?
The InChIKey is FEMVIBJCRARVMT-RGURZIINSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)7-14-10(2)11-4-3-5-12(6-11)13-15-8-16-18-13/h3-6,8-10,14,17H,7H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol?
(2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[3-(1,2,4-oxadiazol-5-yl)phenyl]ethylamino]propan-2-ol is sourced from PubChem (CID 22853920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).