2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide

C18H16FN3O3 — CID 9032629

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccccc1
InChIInChI=1S/C18H16FN3O3/c1-12(13-5-3-2-4-6-13)20-16(23)11-22-18(24)25-17(21-22)14-7-9-15(19)10-8-14/h2-10,12H,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyVUHZCYSSGABGPO-LBPRGKRZSA-N
MW341.34 g/mol
LogP2.52
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 9032629) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID9032629
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccccc1
InChIInChI=1S/C18H16FN3O3/c1-12(13-5-3-2-4-6-13)20-16(23)11-22-18(24)25-17(21-22)14-7-9-15(19)10-8-14/h2-10,12H,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyVUHZCYSSGABGPO-LBPRGKRZSA-N
XLogP2.52
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 27040316
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 42891981
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 40718358
(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide
CID 9470551
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N'-methyl-N'-phenylacetohydrazide
CID 9480149
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40790864
N-(dicyclopropylmethyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 35465234
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N',N'-dimethylacetohydrazide
CID 9180359
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide
CID 95128201
N-ethyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide
CID 17405547
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(propylcarbamoyl)acetamide
CID 27040137

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 9032629) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccccc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is VUHZCYSSGABGPO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-12(13-5-3-2-4-6-13)20-16(23)11-22-18(24)25-17(21-22)14-7-9-15(19)10-8-14/h2-10,12H,11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 9032629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).