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

C19H10ClF2N3O2S — CID 53163782

IUPAC2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
SMILESO=C(Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1)c1cc(F)ccc1Cl
InChIInChI=1S/C19H10ClF2N3O2S/c20-14-6-5-12(22)9-13(14)18(26)23-15-7-8-28-16(15)19-24-17(25-27-19)10-1-3-11(21)4-2-10/h1-9H,(H,23,26)
InChIKeyJVHVNENCCPLFOJ-UHFFFAOYSA-N
MW417.82 g/mol
LogP5.65
Rot. Bonds4

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

2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide (PubChem CID 53163782) has the molecular formula C19H10ClF2N3O2S and a molecular weight of 417.82 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
PubChem CID53163782
Molecular FormulaC19H10ClF2N3O2S
Molecular Weight417.82 g/mol
Exact Mass417.02
IUPAC Name2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
SMILESO=C(Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1)c1cc(F)ccc1Cl
InChIInChI=1S/C19H10ClF2N3O2S/c20-14-6-5-12(22)9-13(14)18(26)23-15-7-8-28-16(15)19-24-17(25-27-19)10-1-3-11(21)4-2-10/h1-9H,(H,23,26)
InChIKeyJVHVNENCCPLFOJ-UHFFFAOYSA-N
XLogP5.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.82
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
4-fluoro-N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163882
2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
CID 53163632
N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 53163789
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
CID 53163758
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide
CID 53163806
3-methoxy-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163713
4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 80641650
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 53163828
N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083888
methyl 4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 22147847
N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 53163802

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide?
The IUPAC name of 2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide (CID 53163782) is 2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide is O=C(Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide?
The InChIKey is JVHVNENCCPLFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2N3O2S/c20-14-6-5-12(22)9-13(14)18(26)23-15-7-8-28-16(15)19-24-17(25-27-19)10-1-3-11(21)4-2-10/h1-9H,(H,23,26).
What are the key properties of 2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide?
2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide has a molecular weight of 417.82 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide is sourced from PubChem (CID 53163782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).