methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate

C25H24F3N3O4 — CID 58428495

IUPACmethyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1
InChIInChI=1S/C25H24F3N3O4/c1-15-4-3-11-31(14-15)24-30-22(25(26,27)28)21(35-24)20(32)12-16-5-7-17(8-6-16)18-9-10-19(29-13-18)23(33)34-2/h5-10,13,15H,3-4,11-12,14H2,1-2H3
InChIKeyKVLAEOCOOKKDFH-UHFFFAOYSA-N
MW487.48 g/mol
LogP5.20
Rot. Bonds6

About methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate

methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate (PubChem CID 58428495) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate
PubChem CID58428495
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC Namemethyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1
InChIInChI=1S/C25H24F3N3O4/c1-15-4-3-11-31(14-15)24-30-22(25(26,27)28)21(35-24)20(32)12-16-5-7-17(8-6-16)18-9-10-19(29-13-18)23(33)34-2/h5-10,13,15H,3-4,11-12,14H2,1-2H3
InChIKeyKVLAEOCOOKKDFH-UHFFFAOYSA-N
XLogP5.20
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate with MolForge

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Related Compounds

CID 44528432
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CID 24800687
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CID 24800868
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CID 24800869
CID 24800869
CID 52936838
CID 52936838
CID 52936839
CID 52936839
CID 57401962
CID 57401962
CID 3239292
CID 3239292
CID 44528443
CID 44528443
CID 72545307
CID 72545307
CID 72545308
CID 72545308

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate (CID 58428495) is methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate is COC(=O)c1ccc(-c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1.
What is the InChIKey of methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate?
The InChIKey is KVLAEOCOOKKDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4/c1-15-4-3-11-31(14-15)24-30-22(25(26,27)28)21(35-24)20(32)12-16-5-7-17(8-6-16)18-9-10-19(29-13-18)23(33)34-2/h5-10,13,15H,3-4,11-12,14H2,1-2H3.
What are the key properties of methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate?
methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate has a molecular weight of 487.48 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 58428495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).