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

C16H12FN3O2S — CID 7577911

IUPAC2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCSc1ccccc1-c1nnc(NC(=O)c2ccccc2F)o1
InChIInChI=1S/C16H12FN3O2S/c1-23-13-9-5-3-7-11(13)15-19-20-16(22-15)18-14(21)10-6-2-4-8-12(10)17/h2-9H,1H3,(H,18,20,21)
InChIKeyMHZGLFDXDVDQEG-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.85
Rot. Bonds4

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

2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 7577911) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID7577911
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC Name2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCSc1ccccc1-c1nnc(NC(=O)c2ccccc2F)o1
InChIInChI=1S/C16H12FN3O2S/c1-23-13-9-5-3-7-11(13)15-19-20-16(22-15)18-14(21)10-6-2-4-8-12(10)17/h2-9H,1H3,(H,18,20,21)
InChIKeyMHZGLFDXDVDQEG-UHFFFAOYSA-N
XLogP3.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 43972961
methyl 4-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 7577907
2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 7565083
5-chloro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 7294998
2-chloro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
CID 7295014
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 71962543
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
CID 7294988
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 42110867
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7577904
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 18576988
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-2-methylsulfanylbenzamide
CID 41178997
2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3367763

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 7577911) is 2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CSc1ccccc1-c1nnc(NC(=O)c2ccccc2F)o1.
What is the InChIKey of 2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is MHZGLFDXDVDQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c1-23-13-9-5-3-7-11(13)15-19-20-16(22-15)18-14(21)10-6-2-4-8-12(10)17/h2-9H,1H3,(H,18,20,21).
What are the key properties of 2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 7577911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).