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

C15H11ClFN3O2S — CID 53009259

IUPAC3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
SMILESCc1nc(-c2cc(NC(=O)c3ccc(F)c(Cl)c3)c(C)s2)no1
InChIInChI=1S/C15H11ClFN3O2S/c1-7-12(6-13(23-7)14-18-8(2)22-20-14)19-15(21)9-3-4-11(17)10(16)5-9/h3-6H,1-2H3,(H,19,21)
InChIKeyPIEPWSDEZNXARN-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.46
Rot. Bonds3

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

3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide (PubChem CID 53009259) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
PubChem CID53009259
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC Name3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
SMILESCc1nc(-c2cc(NC(=O)c3ccc(F)c(Cl)c3)c(C)s2)no1
InChIInChI=1S/C15H11ClFN3O2S/c1-7-12(6-13(23-7)14-18-8(2)22-20-14)19-15(21)9-3-4-11(17)10(16)5-9/h3-6H,1-2H3,(H,19,21)
InChIKeyPIEPWSDEZNXARN-UHFFFAOYSA-N
XLogP4.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)-3-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 27373272
5-chloro-N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 177374102
5-chloro-N-(2-((3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl)phenyl)thiophene-2-carboxamide
CID 72717377
2-(((3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135908905
N-(3-chloro-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26706922
4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53009260
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53042244
3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042253
N-[5-(5-Ethyl-1,2,4-oxadiazol-3-YL)-2-methylthiophen-3-YL]-2-[(4-methylphenyl)formamido]acetamide
CID 53042263
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-3-thienyl]-4-methylbenzamide
CID 53042277
4-chloro-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
CID 53042283
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(3-fluorophenyl)acetamide
CID 53042290

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide (CID 53009259) is 3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide is Cc1nc(-c2cc(NC(=O)c3ccc(F)c(Cl)c3)c(C)s2)no1.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The InChIKey is PIEPWSDEZNXARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c1-7-12(6-13(23-7)14-18-8(2)22-20-14)19-15(21)9-3-4-11(17)10(16)5-9/h3-6H,1-2H3,(H,19,21).
What are the key properties of 3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide has a molecular weight of 351.79 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53009259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).