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

C11H12FN3O2 — CID 43152234

IUPAC2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC(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
InChIKeyUPKHUUXMUVIQBS-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.79
Rot. Bonds4

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

2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 43152234) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID43152234
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC(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
InChIKeyUPKHUUXMUVIQBS-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 43152234) is 2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is NC(CO)c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is UPKHUUXMUVIQBS-UHFFFAOYSA-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.
What are the key properties of 2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
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 2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 43152234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).