N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide

C19H18FN3O2 — CID 96559452

IUPACN-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
SMILESC[C@@H](NC(=O)Cc1cccc(F)c1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C19H18FN3O2/c1-13(21-17(24)11-15-8-5-9-16(20)10-15)19-22-18(25-23-19)12-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyRDOVPNHTVMECIC-CYBMUJFWSA-N
MW339.37 g/mol
LogP3.22
Rot. Bonds6

About N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide

N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 96559452) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID96559452
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
SMILESC[C@@H](NC(=O)Cc1cccc(F)c1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C19H18FN3O2/c1-13(21-17(24)11-15-8-5-9-16(20)10-15)19-22-18(25-23-19)12-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyRDOVPNHTVMECIC-CYBMUJFWSA-N
XLogP3.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340836
(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 119340827
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 96559454
3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952323
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide
CID 84595307
1-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111861288
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
CID 71923906
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 71976229
(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637714
N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-fluoroquinazolin-4-amine
CID 167820856
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61324398
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide (CID 96559452) is N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide is C[C@@H](NC(=O)Cc1cccc(F)c1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is RDOVPNHTVMECIC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13(21-17(24)11-15-8-5-9-16(20)10-15)19-22-18(25-23-19)12-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide?
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 339.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 96559452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).