(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol

C9H10N4O2 — CID 107836639

IUPAC(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
SMILESNC[C@H](O)c1nc(-c2ccccn2)no1
InChIInChI=1S/C9H10N4O2/c10-5-7(14)9-12-8(13-15-9)6-3-1-2-4-11-6/h1-4,7,14H,5,10H2/t7-/m0/s1
InChIKeyWBBGHHPBQNXFBI-ZETCQYMHSA-N
MW206.21 g/mol
LogP0.12
Rot. Bonds3

About (1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol

(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 107836639) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID107836639
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
SMILESNC[C@H](O)c1nc(-c2ccccn2)no1
InChIInChI=1S/C9H10N4O2/c10-5-7(14)9-12-8(13-15-9)6-3-1-2-4-11-6/h1-4,7,14H,5,10H2/t7-/m0/s1
InChIKeyWBBGHHPBQNXFBI-ZETCQYMHSA-N
XLogP0.12
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
(1S)-2-amino-1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837266
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 43109480
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43099782
2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43470366
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 803925
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile
CID 106523647
(1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837176
2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167316
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of (1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol (CID 107836639) is (1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol is NC[C@H](O)c1nc(-c2ccccn2)no1.
What is the InChIKey of (1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is WBBGHHPBQNXFBI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-5-7(14)9-12-8(13-15-9)6-3-1-2-4-11-6/h1-4,7,14H,5,10H2/t7-/m0/s1.
What are the key properties of (1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol?
(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 206.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 107836639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).