3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one

C24H15F3N4O3 — CID 58431639

IUPAC3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one
SMILESO=C(Cc1ccc(-n2c(=O)[nH]c3ccccc32)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C24H15F3N4O3/c25-24(26,27)21-20(34-22(30-21)15-6-2-1-3-7-15)18(32)12-14-10-11-19(28-13-14)31-17-9-5-4-8-16(17)29-23(31)33/h1-11,13H,12H2,(H,29,33)
InChIKeyDHDLBCVFILOTOB-UHFFFAOYSA-N
MW464.40 g/mol
LogP4.81
Rot. Bonds5

About 3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one

3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one (PubChem CID 58431639) has the molecular formula C24H15F3N4O3 and a molecular weight of 464.40 g/mol. Its IUPAC name is 3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one
PubChem CID58431639
Molecular FormulaC24H15F3N4O3
Molecular Weight464.40 g/mol
Exact Mass464.11
IUPAC Name3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one
SMILESO=C(Cc1ccc(-n2c(=O)[nH]c3ccccc32)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C24H15F3N4O3/c25-24(26,27)21-20(34-22(30-21)15-6-2-1-3-7-15)18(32)12-14-10-11-19(28-13-14)31-17-9-5-4-8-16(17)29-23(31)33/h1-11,13H,12H2,(H,29,33)
InChIKeyDHDLBCVFILOTOB-UHFFFAOYSA-N
XLogP4.81
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dgat1-IN-3
CID 16757107
2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(1-benzyl-2-oxazolo[4,5-b]pyridin-2-yl-2-oxo-ethyl)-acetamide
CID 10577682
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069007
N-(6-((2-Methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 16112851
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757011
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(3,3-Difluoroazetidin-1-yl)pyridin-3-yl]amide
CID 52936729
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(4-Cyclopropanecarbonylpiperazin-1-yl)pyridin-3-yl]-amide
CID 52936731
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-diethylamino-pyridin-3-yl)-amide
CID 57391496
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid {6-[(2-hydroxy-ethyl)-methyl-amino]-pyridin-3-yl}-amide
CID 57393260
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid {6-[ethyl-(2-methoxy-ethyl)-amino]-pyridin-3-yl}-amide
CID 57393261
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid {6-[(2-methoxy-acetyl)-methyl-amino]-pyridin-3-yl}-amide
CID 57398505

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one (CID 58431639) is 3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one is O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc32)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one?
The InChIKey is DHDLBCVFILOTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O3/c25-24(26,27)21-20(34-22(30-21)15-6-2-1-3-7-15)18(32)12-14-10-11-19(28-13-14)31-17-9-5-4-8-16(17)29-23(31)33/h1-11,13H,12H2,(H,29,33).
What are the key properties of 3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one?
3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one has a molecular weight of 464.40 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 58431639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).