3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide

C25H22FN3O3S — CID 71289122

IUPAC3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide
SMILESCC(=O)c1cnc(-c2cccc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)s1
InChIInChI=1S/C25H22FN3O3S/c1-15(30)20-12-27-24(33-20)18-6-4-5-17(11-18)22(31)28-14-25(2,3)21-13-32-23(29-21)16-7-9-19(26)10-8-16/h4-13H,14H2,1-3H3,(H,28,31)
InChIKeyQSXNNWZQLOIMPX-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.51
Rot. Bonds7

About 3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide

3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide (PubChem CID 71289122) has the molecular formula C25H22FN3O3S and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide
PubChem CID71289122
Molecular FormulaC25H22FN3O3S
Molecular Weight463.53 g/mol
Exact Mass463.14
IUPAC Name3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide
SMILESCC(=O)c1cnc(-c2cccc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)s1
InChIInChI=1S/C25H22FN3O3S/c1-15(30)20-12-27-24(33-20)18-6-4-5-17(11-18)22(31)28-14-25(2,3)21-13-32-23(29-21)16-7-9-19(26)10-8-16/h4-13H,14H2,1-3H3,(H,28,31)
InChIKeyQSXNNWZQLOIMPX-UHFFFAOYSA-N
XLogP5.51
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide?
The IUPAC name of 3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide (CID 71289122) is 3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide.
What is the SMILES notation for 3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide?
The canonical SMILES for 3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide is CC(=O)c1cnc(-c2cccc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)s1.
What is the InChIKey of 3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide?
The InChIKey is QSXNNWZQLOIMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3S/c1-15(30)20-12-27-24(33-20)18-6-4-5-17(11-18)22(31)28-14-25(2,3)21-13-32-23(29-21)16-7-9-19(26)10-8-16/h4-13H,14H2,1-3H3,(H,28,31).
What are the key properties of 3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide?
3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide has a molecular weight of 463.53 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-1,3-thiazol-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 71289122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).