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

C11H12ClN3O2 — CID 107315627

IUPAC2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESN[C@@H](c1nc(CCO)no1)c1ccccc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-8-4-2-1-3-7(8)10(13)11-14-9(5-6-16)15-17-11/h1-4,10,16H,5-6,13H2/t10-/m1/s1
InChIKeyKXEVACDMGJWSRW-SNVBAGLBSA-N
MW253.69 g/mol
LogP1.31
Rot. Bonds4

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

2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 107315627) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID107315627
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESN[C@@H](c1nc(CCO)no1)c1ccccc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-8-4-2-1-3-7(8)10(13)11-14-9(5-6-16)15-17-11/h1-4,10,16H,5-6,13H2/t10-/m1/s1
InChIKeyKXEVACDMGJWSRW-SNVBAGLBSA-N
XLogP1.31
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315560
(R)-(2-chlorophenyl)-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 107315682
(R)-(2-chlorophenyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 107315488
(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315425
(R)-(2-chlorophenyl)-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methanamine
CID 107315453
1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 86922549
(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine
CID 107315622
2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107565558
4-[(2R)-2-amino-2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905807
2-[5-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104900337
(2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915658
2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 61385059

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 107315627) is 2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol is N[C@@H](c1nc(CCO)no1)c1ccccc1Cl.
What is the InChIKey of 2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is KXEVACDMGJWSRW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-8-4-2-1-3-7(8)10(13)11-14-9(5-6-16)15-17-11/h1-4,10,16H,5-6,13H2/t10-/m1/s1.
What are the key properties of 2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 253.69 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(R)-amino-(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 107315627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).