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

C14H9F2N3O2S — CID 50755903

IUPAC2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESO=C(NCc1noc(-c2cccs2)n1)c1cccc(F)c1F
InChIInChI=1S/C14H9F2N3O2S/c15-9-4-1-3-8(12(9)16)13(20)17-7-11-18-14(21-19-11)10-5-2-6-22-10/h1-6H,7H2,(H,17,20)
InChIKeyJZFGPGAFJHLNDG-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.01
Rot. Bonds4

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

2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 50755903) has the molecular formula C14H9F2N3O2S and a molecular weight of 321.31 g/mol. Its IUPAC name is 2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID50755903
Molecular FormulaC14H9F2N3O2S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESO=C(NCc1noc(-c2cccs2)n1)c1cccc(F)c1F
InChIInChI=1S/C14H9F2N3O2S/c15-9-4-1-3-8(12(9)16)13(20)17-7-11-18-14(21-19-11)10-5-2-6-22-10/h1-6H,7H2,(H,17,20)
InChIKeyJZFGPGAFJHLNDG-UHFFFAOYSA-N
XLogP3.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51097703
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 37326452
5-oxo-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 131928804
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 50964431
6-chloro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 50755766
5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 122133107
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
2,3,4-trifluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110293449
1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 131893193
2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 131894083
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 74233190
4-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
CID 131911637

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 50755903) is 2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide is O=C(NCc1noc(-c2cccs2)n1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is JZFGPGAFJHLNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2S/c15-9-4-1-3-8(12(9)16)13(20)17-7-11-18-14(21-19-11)10-5-2-6-22-10/h1-6H,7H2,(H,17,20).
What are the key properties of 2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 321.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 50755903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).