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

C24H19FN4O4 — CID 97038139

IUPAC2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H](Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C24H19FN4O4/c25-19-11-9-17(10-12-19)14-22(30)26-21(13-16-5-2-1-3-6-16)24-27-23(28-33-24)18-7-4-8-20(15-18)29(31)32/h1-12,15,21H,13-14H2,(H,26,30)/t21-/m0/s1
InChIKeyAUFNSEPAASLPHV-NRFANRHFSA-N
MW446.44 g/mol
LogP4.43
Rot. Bonds8

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

2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide (PubChem CID 97038139) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
PubChem CID97038139
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H](Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C24H19FN4O4/c25-19-11-9-17(10-12-19)14-22(30)26-21(13-16-5-2-1-3-6-16)24-27-23(28-33-24)18-7-4-8-20(15-18)29(31)32/h1-12,15,21H,13-14H2,(H,26,30)/t21-/m0/s1
InChIKeyAUFNSEPAASLPHV-NRFANRHFSA-N
XLogP4.43
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]hexanamide
CID 42792330
2-(4-fluorophenyl)-N-[2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
CID 91634962
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 49179718
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide
CID 42797745
2-(4-chlorophenoxy)-N-[(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
CID 93117442
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenylmethoxyacetamide
CID 42797778
N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide
CID 83284501
5-(dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 46739367
3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344757
3-(3-nitrophenyl)-N-[2-[[2-(4-nitrophenyl)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083765
N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-4-(trifluoromethyl)benzamide
CID 93117435
N-methyl-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63348649

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide (CID 97038139) is 2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide is O=C(Cc1ccc(F)cc1)N[C@@H](Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide?
The InChIKey is AUFNSEPAASLPHV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H19FN4O4/c25-19-11-9-17(10-12-19)14-22(30)26-21(13-16-5-2-1-3-6-16)24-27-23(28-33-24)18-7-4-8-20(15-18)29(31)32/h1-12,15,21H,13-14H2,(H,26,30)/t21-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide?
2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide has a molecular weight of 446.44 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide is sourced from PubChem (CID 97038139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).