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

C11H12FN3O2 — CID 10776242

IUPAC(2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@@H](CO)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H12FN3O2/c12-8-3-1-7(2-4-8)5-10-14-11(17-15-10)9(13)6-16/h1-4,9,16H,5-6,13H2/t9-/m0/s1
InChIKeyUPKHUUXMUVIQBS-VIFPVBQESA-N
MW237.23 g/mol
LogP0.79
Rot. Bonds4

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

(2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 10776242) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID10776242
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name(2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@@H](CO)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H12FN3O2/c12-8-3-1-7(2-4-8)5-10-14-11(17-15-10)9(13)6-16/h1-4,9,16H,5-6,13H2/t9-/m0/s1
InChIKeyUPKHUUXMUVIQBS-VIFPVBQESA-N
XLogP0.79
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Benzyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride
CID 46735940
2-[3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 24878775
(1-{[3-(3-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-2-piperidinyl)methanol
CID 45195793
3-ethoxy-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 72013533
2-[(1S)-2-hydroxy-1-[3-(4-octylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]guanidine;hydrochloride
CID 118734387
1-(2-Fluorophenyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 54593388
1-(3-Benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755507
(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine
CID 29790844
(3-Benzyl-1,2,4-oxadiazol-5-yl)methanamine
CID 6484110
2-(1-{[3-(3-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-2-piperidinyl)ethanol
CID 45226041
(2S)-2-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 164642633
1-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine
CID 23008090

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 10776242) is (2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is N[C@@H](CO)c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of (2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is UPKHUUXMUVIQBS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-8-3-1-7(2-4-8)5-10-14-11(17-15-10)9(13)6-16/h1-4,9,16H,5-6,13H2/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
(2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 237.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 10776242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).