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

C22H17FN4O3S — CID 53163789

IUPACN-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C22H17FN4O3S/c1-13(24-21(29)15-5-3-2-4-6-15)20(28)25-17-11-12-31-18(17)22-26-19(27-30-22)14-7-9-16(23)10-8-14/h2-13H,1H3,(H,24,29)(H,25,28)
InChIKeyBRXQLMWDWUHXIX-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.36
Rot. Bonds6

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

N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 53163789) has the molecular formula C22H17FN4O3S and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID53163789
Molecular FormulaC22H17FN4O3S
Molecular Weight436.47 g/mol
Exact Mass436.10
IUPAC NameN-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C22H17FN4O3S/c1-13(24-21(29)15-5-3-2-4-6-15)20(28)25-17-11-12-31-18(17)22-26-19(27-30-22)14-7-9-16(23)10-8-14/h2-13H,1H3,(H,24,29)(H,25,28)
InChIKeyBRXQLMWDWUHXIX-UHFFFAOYSA-N
XLogP4.36
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
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
N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 95100433
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-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163782
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
CID 53163758
4-fluoro-N-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-yl]benzamide
CID 50754486
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866769
1-benzhydryl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607744
3-methoxy-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163713
4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 39042536

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide (CID 53163789) is N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is BRXQLMWDWUHXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S/c1-13(24-21(29)15-5-3-2-4-6-15)20(28)25-17-11-12-31-18(17)22-26-19(27-30-22)14-7-9-16(23)10-8-14/h2-13H,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide?
N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 436.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 53163789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).