2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C17H14FN3O5S — CID 43977325

IUPAC2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)COc3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H14FN3O5S/c1-27(23,24)14-4-2-3-11(9-14)16-20-21-17(26-16)19-15(22)10-25-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyDGLNAWRQSXMFQX-UHFFFAOYSA-N
MW391.38 g/mol
LogP2.30
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43977325) has the molecular formula C17H14FN3O5S and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43977325
Molecular FormulaC17H14FN3O5S
Molecular Weight391.38 g/mol
Exact Mass391.06
IUPAC Name2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)COc3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H14FN3O5S/c1-27(23,24)14-4-2-3-11(9-14)16-20-21-17(26-16)19-15(22)10-25-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyDGLNAWRQSXMFQX-UHFFFAOYSA-N
XLogP2.30
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977427
2-(4-fluorophenyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977726
2-(3-methoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977307
2-(4-ethoxyphenoxy)-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972013
2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977425
3-butoxy-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578258
2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977225
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 43977317
2-(4-fluorophenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 17359046
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16822911
3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7578299

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 43977325) is 2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is CS(=O)(=O)c1cccc(-c2nnc(NC(=O)COc3ccc(F)cc3)o2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is DGLNAWRQSXMFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O5S/c1-27(23,24)14-4-2-3-11(9-14)16-20-21-17(26-16)19-15(22)10-25-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 391.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43977325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).