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

C17H15F2N3O2S — CID 53156159

IUPAC2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide
SMILESCC(C)c1noc(-c2ccc(CNC(=O)c3cc(F)ccc3F)s2)n1
InChIInChI=1S/C17H15F2N3O2S/c1-9(2)15-21-17(24-22-15)14-6-4-11(25-14)8-20-16(23)12-7-10(18)3-5-13(12)19/h3-7,9H,8H2,1-2H3,(H,20,23)
InChIKeyUXDOSZAWAQXRRY-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.13
Rot. Bonds5

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

2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide (PubChem CID 53156159) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide
PubChem CID53156159
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide
SMILESCC(C)c1noc(-c2ccc(CNC(=O)c3cc(F)ccc3F)s2)n1
InChIInChI=1S/C17H15F2N3O2S/c1-9(2)15-21-17(24-22-15)14-6-4-11(25-14)8-20-16(23)12-7-10(18)3-5-13(12)19/h3-7,9H,8H2,1-2H3,(H,20,23)
InChIKeyUXDOSZAWAQXRRY-UHFFFAOYSA-N
XLogP4.13
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53156195
N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide
CID 53156110
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 79523994
2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-6-fluorobenzamide
CID 53156185
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
3,4-difluoro-N-[[8-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893046
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 112724022

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide (CID 53156159) is 2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide is CC(C)c1noc(-c2ccc(CNC(=O)c3cc(F)ccc3F)s2)n1.
What is the InChIKey of 2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide?
The InChIKey is UXDOSZAWAQXRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-9(2)15-21-17(24-22-15)14-6-4-11(25-14)8-20-16(23)12-7-10(18)3-5-13(12)19/h3-7,9H,8H2,1-2H3,(H,20,23).
What are the key properties of 2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide?
2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide has a molecular weight of 363.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 53156159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).