N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide

C21H15F3N4O2S — CID 38910434

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C21H15F3N4O2S/c22-13-6-4-12(5-7-13)20-27-19(30-28-20)3-1-2-18(29)26-21-25-17(11-31-21)15-10-14(23)8-9-16(15)24/h4-11H,1-3H2,(H,25,26,29)
InChIKeyHGPSDMOHVALNQO-UHFFFAOYSA-N
MW444.44 g/mol
LogP5.24
Rot. Bonds7

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 38910434) has the molecular formula C21H15F3N4O2S and a molecular weight of 444.44 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID38910434
Molecular FormulaC21H15F3N4O2S
Molecular Weight444.44 g/mol
Exact Mass444.09
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C21H15F3N4O2S/c22-13-6-4-12(5-7-13)20-27-19(30-28-20)3-1-2-18(29)26-21-25-17(11-31-21)15-10-14(23)8-9-16(15)24/h4-11H,1-3H2,(H,25,26,29)
InChIKeyHGPSDMOHVALNQO-UHFFFAOYSA-N
XLogP5.24
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55664148
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 38931913
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46680308
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 60547444
methyl 4-[2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55651520
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 71296571
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55649839
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 23613878
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
CID 48507921
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 38910434) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is HGPSDMOHVALNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2S/c22-13-6-4-12(5-7-13)20-27-19(30-28-20)3-1-2-18(29)26-21-25-17(11-31-21)15-10-14(23)8-9-16(15)24/h4-11H,1-3H2,(H,25,26,29).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 444.44 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 38910434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).