3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide

C26H23FN2O3S — CID 71289145

IUPAC3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide
SMILESCC(=O)c1csc(-c2cccc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)c1
InChIInChI=1S/C26H23FN2O3S/c1-16(30)20-12-22(33-14-20)18-5-4-6-19(11-18)24(31)28-15-26(2,3)23-13-32-25(29-23)17-7-9-21(27)10-8-17/h4-14H,15H2,1-3H3,(H,28,31)
InChIKeyYXZNDFNSCCGTDU-UHFFFAOYSA-N
MW462.55 g/mol
LogP6.12
Rot. Bonds7

About 3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide

3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide (PubChem CID 71289145) has the molecular formula C26H23FN2O3S and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide
PubChem CID71289145
Molecular FormulaC26H23FN2O3S
Molecular Weight462.55 g/mol
Exact Mass462.14
IUPAC Name3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide
SMILESCC(=O)c1csc(-c2cccc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)c1
InChIInChI=1S/C26H23FN2O3S/c1-16(30)20-12-22(33-14-20)18-5-4-6-19(11-18)24(31)28-15-26(2,3)23-13-32-25(29-23)17-7-9-21(27)10-8-17/h4-14H,15H2,1-3H3,(H,28,31)
InChIKeyYXZNDFNSCCGTDU-UHFFFAOYSA-N
XLogP6.12
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide?
The IUPAC name of 3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide (CID 71289145) is 3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide.
What is the SMILES notation for 3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide?
The canonical SMILES for 3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide is CC(=O)c1csc(-c2cccc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)c1.
What is the InChIKey of 3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide?
The InChIKey is YXZNDFNSCCGTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3S/c1-16(30)20-12-22(33-14-20)18-5-4-6-19(11-18)24(31)28-15-26(2,3)23-13-32-25(29-23)17-7-9-21(27)10-8-17/h4-14H,15H2,1-3H3,(H,28,31).
What are the key properties of 3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide?
3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide has a molecular weight of 462.55 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 71289145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).