5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

C20H20F3N3O3 — CID 58429093

IUPAC5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(c3)CC(=O)N4)o2)C1
InChIInChI=1S/C20H20F3N3O3/c1-11-3-2-6-26(10-11)19-25-18(20(21,22)23)17(29-19)15(27)8-12-4-5-14-13(7-12)9-16(28)24-14/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,24,28)
InChIKeyLODUENJFJSRQQM-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.85
Rot. Bonds4

About 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (PubChem CID 58429093) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
PubChem CID58429093
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(c3)CC(=O)N4)o2)C1
InChIInChI=1S/C20H20F3N3O3/c1-11-3-2-6-26(10-11)19-25-18(20(21,22)23)17(29-19)15(27)8-12-4-5-14-13(7-12)9-16(28)24-14/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,24,28)
InChIKeyLODUENJFJSRQQM-UHFFFAOYSA-N
XLogP3.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-[(2-methylphenyl)carbamoyl]-9H-fluoren-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46209128
2-[4-[4-[[2-(4-Phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 46212578
N-(2-methylphenyl)-3-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]benzamide
CID 58428470
N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide
CID 58428527
2-(3-methylpiperidin-1-yl)-N-[4-[4-(3-oxobutylcarbamoyl)phenyl]phenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 58428546
N-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 58428722
2-[4-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]phenyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428849
1-[5-[2-[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-5-phenylpentane-1,4-dione
CID 58428896
N-[4-[4-[(2-butylphenyl)carbamoyl]phenyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 58428908
5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide
CID 58428942
N-(2-methylphenyl)-7-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-9H-fluorene-2-carboxamide
CID 58428949
2-(1H-indol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428950

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (CID 58429093) is 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(c3)CC(=O)N4)o2)C1.
What is the InChIKey of 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The InChIKey is LODUENJFJSRQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-11-3-2-6-26(10-11)19-25-18(20(21,22)23)17(29-19)15(27)8-12-4-5-14-13(7-12)9-16(28)24-14/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,24,28).
What are the key properties of 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one has a molecular weight of 407.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 58429093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).