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

C10H10FN3O2 — CID 43514739

IUPAC2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC(CO)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C10H10FN3O2/c11-7-3-1-6(2-4-7)9-13-10(16-14-9)8(12)5-15/h1-4,8,15H,5,12H2
InChIKeyKPWVPFCDKDODFM-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.87
Rot. Bonds3

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

2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 43514739) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID43514739
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC(CO)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C10H10FN3O2/c11-7-3-1-6(2-4-7)9-13-10(16-14-9)8(12)5-15/h1-4,8,15H,5,12H2
InChIKeyKPWVPFCDKDODFM-UHFFFAOYSA-N
XLogP0.87
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-2-amino-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
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(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
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(2R)-2-amino-2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 43514739) is 2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is NC(CO)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is KPWVPFCDKDODFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-7-3-1-6(2-4-7)9-13-10(16-14-9)8(12)5-15/h1-4,8,15H,5,12H2.
What are the key properties of 2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 223.21 g/mol, XLogP of 0.87, 3 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)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 43514739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).