(2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol

C8H13N3O3 — CID 104915770

IUPAC(2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@H](CO)c1nc(C2CCCO2)no1
InChIInChI=1S/C8H13N3O3/c9-5(4-12)8-10-7(11-14-8)6-2-1-3-13-6/h5-6,12H,1-4,9H2/t5-,6?/m1/s1
InChIKeyGQRZEAALYXFYKF-LWOQYNTDSA-N
MW199.21 g/mol
LogP-0.09
Rot. Bonds3

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

(2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 104915770) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID104915770
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name(2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@H](CO)c1nc(C2CCCO2)no1
InChIInChI=1S/C8H13N3O3/c9-5(4-12)8-10-7(11-14-8)6-2-1-3-13-6/h5-6,12H,1-4,9H2/t5-,6?/m1/s1
InChIKeyGQRZEAALYXFYKF-LWOQYNTDSA-N
XLogP-0.09
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-3-methylsulfanyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909472
3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120893845
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
4-methyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328283
3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330095
(2R)-2-amino-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915934
(1S)-2-(1-benzylimidazol-4-yl)-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120893798
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65328398
1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79962698
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328569

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 104915770) is (2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is N[C@H](CO)c1nc(C2CCCO2)no1.
What is the InChIKey of (2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is GQRZEAALYXFYKF-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-5(4-12)8-10-7(11-14-8)6-2-1-3-13-6/h5-6,12H,1-4,9H2/t5-,6?/m1/s1.
What are the key properties of (2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
(2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 199.21 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 104915770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).