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

C16H14FN3O2 — CID 52531104

IUPAC(1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol
SMILESO[C@@H](CNc1nc(-c2ccccc2)no1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2/c17-13-8-6-11(7-9-13)14(21)10-18-16-19-15(20-22-16)12-4-2-1-3-5-12/h1-9,14,21H,10H2,(H,18,19,20)/t14-/m0/s1
InChIKeyRWUHHOHUZBBRPV-AWEZNQCLSA-N
MW299.31 g/mol
LogP3.02
Rot. Bonds5

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

(1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol (PubChem CID 52531104) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol
PubChem CID52531104
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name(1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol
SMILESO[C@@H](CNc1nc(-c2ccccc2)no1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2/c17-13-8-6-11(7-9-13)14(21)10-18-16-19-15(20-22-16)12-4-2-1-3-5-12/h1-9,14,21H,10H2,(H,18,19,20)/t14-/m0/s1
InChIKeyRWUHHOHUZBBRPV-AWEZNQCLSA-N
XLogP3.02
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 121222906
6-[1-hydroxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethyl]-1H-pyridin-2-one
CID 165424799
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol
CID 133351569
N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41129917
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 122215897
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60671278
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323581
ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate
CID 4126918
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
CID 55897601

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol (CID 52531104) is (1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol is O[C@@H](CNc1nc(-c2ccccc2)no1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The InChIKey is RWUHHOHUZBBRPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-13-8-6-11(7-9-13)14(21)10-18-16-19-15(20-22-16)12-4-2-1-3-5-12/h1-9,14,21H,10H2,(H,18,19,20)/t14-/m0/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
(1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol has a molecular weight of 299.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 52531104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).