3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

C21H16FN3O2S — CID 92559623

IUPAC3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1ccc(-c2nnc(CNC(=O)c3cccc(-c4ccc(F)cc4)c3)o2)s1
InChIInChI=1S/C21H16FN3O2S/c1-13-5-10-18(28-13)21-25-24-19(27-21)12-23-20(26)16-4-2-3-15(11-16)14-6-8-17(22)9-7-14/h2-11H,12H2,1H3,(H,23,26)
InChIKeyNKPWMGKFCJDFTQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.84
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 92559623) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID92559623
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1ccc(-c2nnc(CNC(=O)c3cccc(-c4ccc(F)cc4)c3)o2)s1
InChIInChI=1S/C21H16FN3O2S/c1-13-5-10-18(28-13)21-25-24-19(27-21)12-23-20(26)16-4-2-3-15(11-16)14-6-8-17(22)9-7-14/h2-11H,12H2,1H3,(H,23,26)
InChIKeyNKPWMGKFCJDFTQ-UHFFFAOYSA-N
XLogP4.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 92559623) is 3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is Cc1ccc(-c2nnc(CNC(=O)c3cccc(-c4ccc(F)cc4)c3)o2)s1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is NKPWMGKFCJDFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-13-5-10-18(28-13)21-25-24-19(27-21)12-23-20(26)16-4-2-3-15(11-16)14-6-8-17(22)9-7-14/h2-11H,12H2,1H3,(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 92559623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).