4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol

C11H12FN3O3 — CID 136755763

IUPAC4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
SMILESNCC[C@H](O)c1nc(-c2ccc(O)c(F)c2)no1
InChIInChI=1S/C11H12FN3O3/c12-7-5-6(1-2-8(7)16)10-14-11(18-15-10)9(17)3-4-13/h1-2,5,9,16-17H,3-4,13H2/t9-/m0/s1
InChIKeySMVCPLFIFVWYFD-VIFPVBQESA-N
MW253.23 g/mol
LogP0.96
Rot. Bonds4

About 4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol

4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol (PubChem CID 136755763) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
PubChem CID136755763
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
SMILESNCC[C@H](O)c1nc(-c2ccc(O)c(F)c2)no1
InChIInChI=1S/C11H12FN3O3/c12-7-5-6(1-2-8(7)16)10-14-11(18-15-10)9(17)3-4-13/h1-2,5,9,16-17H,3-4,13H2/t9-/m0/s1
InChIKeySMVCPLFIFVWYFD-VIFPVBQESA-N
XLogP0.96
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-(trifluoromethyl)phenol
CID 136755757
4-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136999024
3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836623
4-[5-[(1S)-1-amino-3-methylsulfanylpropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136809961
4-[5-(1-amino-3-methylsulfanylpropyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810022
3-amino-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114006924
4-[5-(1-amino-2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810007
3-amino-1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837454
3-amino-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836732
3-amino-1-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837393
2-amino-1-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114016203
4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810172

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol?
The IUPAC name of 4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol (CID 136755763) is 4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol.
What is the SMILES notation for 4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol?
The canonical SMILES for 4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol is NCC[C@H](O)c1nc(-c2ccc(O)c(F)c2)no1.
What is the InChIKey of 4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol?
The InChIKey is SMVCPLFIFVWYFD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-7-5-6(1-2-8(7)16)10-14-11(18-15-10)9(17)3-4-13/h1-2,5,9,16-17H,3-4,13H2/t9-/m0/s1.
What are the key properties of 4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol?
4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol has a molecular weight of 253.23 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol is sourced from PubChem (CID 136755763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).