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

C23H17F2N3O2 — CID 95141288

IUPAC5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide
SMILESC[C@@H](NC(=O)c1cc(F)ccc1-c1ccccc1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C23H17F2N3O2/c1-14(23-27-21(28-30-23)16-7-9-17(24)10-8-16)26-22(29)20-13-18(25)11-12-19(20)15-5-3-2-4-6-15/h2-14H,1H3,(H,26,29)/t14-/m1/s1
InChIKeyYPISKGYLCFCHQE-CQSZACIVSA-N
MW405.40 g/mol
LogP5.17
Rot. Bonds5

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

5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide (PubChem CID 95141288) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide
PubChem CID95141288
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide
SMILESC[C@@H](NC(=O)c1cc(F)ccc1-c1ccccc1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C23H17F2N3O2/c1-14(23-27-21(28-30-23)16-7-9-17(24)10-8-16)26-22(29)20-13-18(25)11-12-19(20)15-5-3-2-4-6-15/h2-14H,1H3,(H,26,29)/t14-/m1/s1
InChIKeyYPISKGYLCFCHQE-CQSZACIVSA-N
XLogP5.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
2-(2-cyanophenyl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 49179532
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 52507006
1-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(3-methylbutan-2-yl)urea
CID 49261280
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(N-methylanilino)acetamide
CID 49218594
2-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-nitrobenzamide
CID 49179767
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 49179572
methyl 6-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]pyridine-2-carboxylate
CID 49179087
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 52513082

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide?
The IUPAC name of 5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide (CID 95141288) is 5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide.
What is the SMILES notation for 5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide?
The canonical SMILES for 5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide is C[C@@H](NC(=O)c1cc(F)ccc1-c1ccccc1)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide?
The InChIKey is YPISKGYLCFCHQE-CQSZACIVSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c1-14(23-27-21(28-30-23)16-7-9-17(24)10-8-16)26-22(29)20-13-18(25)11-12-19(20)15-5-3-2-4-6-15/h2-14H,1H3,(H,26,29)/t14-/m1/s1.
What are the key properties of 5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide?
5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide has a molecular weight of 405.40 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide is sourced from PubChem (CID 95141288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).