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

C24H19F4N3O2S — CID 53345243

IUPACN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(-c2ncc(C(F)(F)F)s2)c1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H19F4N3O2S/c1-23(2,18-12-33-21(31-18)14-6-8-17(25)9-7-14)13-30-20(32)15-4-3-5-16(10-15)22-29-11-19(34-22)24(26,27)28/h3-12H,13H2,1-2H3,(H,30,32)
InChIKeySCXGIVLUOGEAEU-UHFFFAOYSA-N
MW489.49 g/mol
LogP6.33
Rot. Bonds6

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

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 53345243) has the molecular formula C24H19F4N3O2S and a molecular weight of 489.49 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID53345243
Molecular FormulaC24H19F4N3O2S
Molecular Weight489.49 g/mol
Exact Mass489.11
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(-c2ncc(C(F)(F)F)s2)c1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H19F4N3O2S/c1-23(2,18-12-33-21(31-18)14-6-8-17(25)9-7-14)13-30-20(32)15-4-3-5-16(10-15)22-29-11-19(34-22)24(26,27)28/h3-12H,13H2,1-2H3,(H,30,32)
InChIKeySCXGIVLUOGEAEU-UHFFFAOYSA-N
XLogP6.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.49
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxazol-5-yl-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127033252
5-(4-fluorophenyl)-N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)oxazole-2-carboxamide
CID 76145348
[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methylamino]butan-2-yl] 3-(dipropylcarbamoyl)-5-(1,3-oxazol-2-yl)benzoate
CID 10417008
N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 24764558
N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 24764651
N-(2,6-difluorophenyl)-2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 24764654
N-(2-(2-(4-Fluorophenyl)oxazol-4-yl)-2-methylpropyl)-4-(5-(2,2,2-trifluoroacetyl)thiophen-2-yl)butanamide
CID 53311817
N-((4-(2-(4-Fluorophenyl)oxazol-4-yl)-1-methylpiperidin-4-yl)methyl)-4-(5-(2,2,2-trifluoroacetyl)thiophen-2-yl)butanamide
CID 53311904
N-(2,6-difluorophenyl)-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 59004552
N-(2-(2-(4-Fluorophenyl)oxazol-4-yl)-2-methylpropyl)-3-(5-(2,2,2-trifluoroacetyl)thiazol-2-yl)benzamide
CID 67323785
N-(2-(2-(4-Fluorophenyl)oxazol-4-yl)-2-methylpropyl)-5-(5-(2,2,2-trifluoroacetyl)thiophen-2-yl)nicotinamide
CID 67323972
N-(2-(2-(4-Fluorophenyl)oxazol-4-yl)-2-methylpropyl)-3-(4-(2,2,2-trifluoroacetyl)thiophen-2-yl)benzamide
CID 67324598

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 53345243) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is CC(C)(CNC(=O)c1cccc(-c2ncc(C(F)(F)F)s2)c1)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SCXGIVLUOGEAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O2S/c1-23(2,18-12-33-21(31-18)14-6-8-17(25)9-7-14)13-30-20(32)15-4-3-5-16(10-15)22-29-11-19(34-22)24(26,27)28/h3-12H,13H2,1-2H3,(H,30,32).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 489.49 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 53345243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).