(1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol

C11H17N3O2 — CID 107837256

IUPAC(1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC[C@H](O)c1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C11H17N3O2/c12-5-9(15)11-13-10(14-16-11)8-4-6-1-2-7(8)3-6/h6-9,15H,1-5,12H2/t6?,7?,8?,9-/m0/s1
InChIKeyQBKWOKDNBOMFAG-BCZLUZIISA-N
MW223.28 g/mol
LogP0.97
Rot. Bonds3

About (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol

(1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 107837256) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID107837256
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC[C@H](O)c1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C11H17N3O2/c12-5-9(15)11-13-10(14-16-11)8-4-6-1-2-7(8)3-6/h6-9,15H,1-5,12H2/t6?,7?,8?,9-/m0/s1
InChIKeyQBKWOKDNBOMFAG-BCZLUZIISA-N
XLogP0.97
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol with MolForge

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Related Compounds

5-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113383370
N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
CID 113383371
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813532
5-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706931
3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 113383352
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 113383365
5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847082
(1S)-3-amino-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836745
(1S)-2-amino-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107837305
3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837020
3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071027
5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631895

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 107837256) is (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol is NC[C@H](O)c1nc(C2CC3CCC2C3)no1.
What is the InChIKey of (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is QBKWOKDNBOMFAG-BCZLUZIISA-N. The full InChI is InChI=1S/C11H17N3O2/c12-5-9(15)11-13-10(14-16-11)8-4-6-1-2-7(8)3-6/h6-9,15H,1-5,12H2/t6?,7?,8?,9-/m0/s1.
What are the key properties of (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 223.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 107837256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).