(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol

C8H11N5O2 — CID 104915767

IUPAC(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCn1ccc(-c2noc([C@@H](N)CO)n2)n1
InChIInChI=1S/C8H11N5O2/c1-13-3-2-6(11-13)7-10-8(15-12-7)5(9)4-14/h2-3,5,14H,4,9H2,1H3/t5-/m0/s1
InChIKeyGFWLEHZTVYFVSK-YFKPBYRVSA-N
MW209.21 g/mol
LogP-0.54
Rot. Bonds3

About (2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol

(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 104915767) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID104915767
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCn1ccc(-c2noc([C@@H](N)CO)n2)n1
InChIInChI=1S/C8H11N5O2/c1-13-3-2-6(11-13)7-10-8(15-12-7)5(9)4-14/h2-3,5,14H,4,9H2,1H3/t5-/m0/s1
InChIKeyGFWLEHZTVYFVSK-YFKPBYRVSA-N
XLogP-0.54
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899796
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65197757
1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918052
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65197551
3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65198120
2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519
2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63554853
2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65199628
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715
2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 43514739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 104915767) is (2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol is Cn1ccc(-c2noc([C@@H](N)CO)n2)n1.
What is the InChIKey of (2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is GFWLEHZTVYFVSK-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-13-3-2-6(11-13)7-10-8(15-12-7)5(9)4-14/h2-3,5,14H,4,9H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 209.21 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 104915767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).