3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide

C12H12FN3O4S — CID 9186371

IUPAC3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(F)c1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C12H12FN3O4S/c1-7(11-15-16-12(20-11)21(2,18)19)14-10(17)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H,14,17)/t7-/m0/s1
InChIKeyDYMIDTDNAUFHOE-ZETCQYMHSA-N
MW313.31 g/mol
LogP1.10
Rot. Bonds4

About 3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide

3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (PubChem CID 9186371) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
PubChem CID9186371
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC Name3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(F)c1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C12H12FN3O4S/c1-7(11-15-16-12(20-11)21(2,18)19)14-10(17)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H,14,17)/t7-/m0/s1
InChIKeyDYMIDTDNAUFHOE-ZETCQYMHSA-N
XLogP1.10
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 9186384
2,5-difluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 9186119
4-fluoro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 9187332
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide
CID 19415003
2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide
CID 9186882
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
3,4-dimethyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185494
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
N-but-3-yn-2-yl-3-fluorobenzamide
CID 114389984
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
2-[1-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380008

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (CID 9186371) is 3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is C[C@H](NC(=O)c1cccc(F)c1)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The InChIKey is DYMIDTDNAUFHOE-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c1-7(11-15-16-12(20-11)21(2,18)19)14-10(17)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H,14,17)/t7-/m0/s1.
What are the key properties of 3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide has a molecular weight of 313.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 9186371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).