N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide

C16H14FN3O3S — CID 47013970

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C16H14FN3O3S/c1-19(9-11-4-6-12(17)7-5-11)14(21)10-20-16(22)23-15(18-20)13-3-2-8-24-13/h2-8H,9-10H2,1H3
InChIKeyOLXYCXJSRXZOKI-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.36
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 47013970) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID47013970
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C16H14FN3O3S/c1-19(9-11-4-6-12(17)7-5-11)14(21)10-20-16(22)23-15(18-20)13-3-2-8-24-13/h2-8H,9-10H2,1H3
InChIKeyOLXYCXJSRXZOKI-UHFFFAOYSA-N
XLogP2.36
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (CID 47013970) is N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is CN(Cc1ccc(F)cc1)C(=O)Cn1nc(-c2cccs2)oc1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is OLXYCXJSRXZOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-19(9-11-4-6-12(17)7-5-11)14(21)10-20-16(22)23-15(18-20)13-3-2-8-24-13/h2-8H,9-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 47013970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).