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

C17H16FN3O2S — CID 53042290

IUPACN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide
SMILESCCc1nc(-c2cc(NC(=O)Cc3cccc(F)c3)c(C)s2)no1
InChIInChI=1S/C17H16FN3O2S/c1-3-16-20-17(21-23-16)14-9-13(10(2)24-14)19-15(22)8-11-5-4-6-12(18)7-11/h4-7,9H,3,8H2,1-2H3,(H,19,22)
InChIKeyRFMSCZWOOPBCHD-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.99
Rot. Bonds5

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

N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 53042290) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide
PubChem CID53042290
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide
SMILESCCc1nc(-c2cc(NC(=O)Cc3cccc(F)c3)c(C)s2)no1
InChIInChI=1S/C17H16FN3O2S/c1-3-16-20-17(21-23-16)14-9-13(10(2)24-14)19-15(22)8-11-5-4-6-12(18)7-11/h4-7,9H,3,8H2,1-2H3,(H,19,22)
InChIKeyRFMSCZWOOPBCHD-UHFFFAOYSA-N
XLogP3.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide (CID 53042290) is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide is CCc1nc(-c2cc(NC(=O)Cc3cccc(F)c3)c(C)s2)no1.
What is the InChIKey of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is RFMSCZWOOPBCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-3-16-20-17(21-23-16)14-9-13(10(2)24-14)19-15(22)8-11-5-4-6-12(18)7-11/h4-7,9H,3,8H2,1-2H3,(H,19,22).
What are the key properties of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide?
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 53042290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).