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

C17H13FN6O2S — CID 91813258

IUPAC2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1cc(-c2nc(-c3ccsc3)no2)nn1)c1ccccc1F
InChIInChI=1S/C17H13FN6O2S/c18-13-4-2-1-3-12(13)16(25)19-6-7-24-9-14(21-23-24)17-20-15(22-26-17)11-5-8-27-10-11/h1-5,8-10H,6-7H2,(H,19,25)
InChIKeyGWSAPFWVRMIYMK-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.63
Rot. Bonds6

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

2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide (PubChem CID 91813258) has the molecular formula C17H13FN6O2S and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
PubChem CID91813258
Molecular FormulaC17H13FN6O2S
Molecular Weight384.40 g/mol
Exact Mass384.08
IUPAC Name2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1cc(-c2nc(-c3ccsc3)no2)nn1)c1ccccc1F
InChIInChI=1S/C17H13FN6O2S/c18-13-4-2-1-3-12(13)16(25)19-6-7-24-9-14(21-23-24)17-20-15(22-26-17)11-5-8-27-10-11/h1-5,8-10H,6-7H2,(H,19,25)
InChIKeyGWSAPFWVRMIYMK-UHFFFAOYSA-N
XLogP2.63
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethoxy-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
CID 86263618
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide
CID 119099368
2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide
CID 91888381
3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide
CID 146152118
2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62059910
2-fluoro-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]benzamide
CID 122244751
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 9354612
N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 50755399
N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167991782
N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide
CID 122244604

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide (CID 91813258) is 2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide is O=C(NCCn1cc(-c2nc(-c3ccsc3)no2)nn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide?
The InChIKey is GWSAPFWVRMIYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O2S/c18-13-4-2-1-3-12(13)16(25)19-6-7-24-9-14(21-23-24)17-20-15(22-26-17)11-5-8-27-10-11/h1-5,8-10H,6-7H2,(H,19,25).
What are the key properties of 2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide?
2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide has a molecular weight of 384.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 91813258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).