N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide

C17H22FN3O4S — CID 9190539

IUPACN-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCc1nnc(S(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C17H22FN3O4S/c1-17(2,3)15(22)19-10-6-9-14-20-21-16(25-14)26(23,24)11-12-7-4-5-8-13(12)18/h4-5,7-8H,6,9-11H2,1-3H3,(H,19,22)
InChIKeyFGLUMYWKIBYFDP-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.28
Rot. Bonds7

About N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide

N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide (PubChem CID 9190539) has the molecular formula C17H22FN3O4S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide
PubChem CID9190539
Molecular FormulaC17H22FN3O4S
Molecular Weight383.45 g/mol
Exact Mass383.13
IUPAC NameN-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCc1nnc(S(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C17H22FN3O4S/c1-17(2,3)15(22)19-10-6-9-14-20-21-16(25-14)26(23,24)11-12-7-4-5-8-13(12)18/h4-5,7-8H,6,9-11H2,1-3H3,(H,19,22)
InChIKeyFGLUMYWKIBYFDP-UHFFFAOYSA-N
XLogP2.28
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 9190179
N-[3-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-methylbenzamide
CID 9190489
N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
CID 9189520
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
tert-butyl N-[5-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pentyl]carbamate
CID 2032913
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
CID 9189117
N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide
CID 9190819
N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide
CID 9190828
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 9190243
1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea
CID 9188976
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbutanamide
CID 9190207
1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one
CID 11937644

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide (CID 9190539) is N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCc1nnc(S(=O)(=O)Cc2ccccc2F)o1.
What is the InChIKey of N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide?
The InChIKey is FGLUMYWKIBYFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O4S/c1-17(2,3)15(22)19-10-6-9-14-20-21-16(25-14)26(23,24)11-12-7-4-5-8-13(12)18/h4-5,7-8H,6,9-11H2,1-3H3,(H,19,22).
What are the key properties of N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide?
N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide has a molecular weight of 383.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 9190539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).