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

C8H9N5O2 — CID 104915904

IUPAC(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
SMILESN[C@@H](CO)c1nc(-c2ccncn2)no1
InChIInChI=1S/C8H9N5O2/c9-5(3-14)8-12-7(13-15-8)6-1-2-10-4-11-6/h1-2,4-5,14H,3,9H2/t5-/m0/s1
InChIKeyXHCVLVKDFHNTDW-YFKPBYRVSA-N
MW207.19 g/mol
LogP-0.48
Rot. Bonds3

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

(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 104915904) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID104915904
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
SMILESN[C@@H](CO)c1nc(-c2ccncn2)no1
InChIInChI=1S/C8H9N5O2/c9-5(3-14)8-12-7(13-15-8)6-1-2-10-4-11-6/h1-2,4-5,14H,3,9H2/t5-/m0/s1
InChIKeyXHCVLVKDFHNTDW-YFKPBYRVSA-N
XLogP-0.48
TPSA110.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 115531419
2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519
(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915767
2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63554853
2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63949235
(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915947
1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115528982
2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 43514739
(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 115528737
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 107706890
3-methyl-1-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 115531354

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol (CID 104915904) is (2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol is N[C@@H](CO)c1nc(-c2ccncn2)no1.
What is the InChIKey of (2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is XHCVLVKDFHNTDW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-5(3-14)8-12-7(13-15-8)6-1-2-10-4-11-6/h1-2,4-5,14H,3,9H2/t5-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 207.19 g/mol, XLogP of -0.48, 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-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 104915904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).