ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate

C21H25F3N4O4 — CID 58428483

IUPACethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(CC(=O)c2oc(N3CCCCC3)nc2C(F)(F)F)cn1
InChIInChI=1S/C21H25F3N4O4/c1-3-31-19(30)13(2)26-16-8-7-14(12-25-16)11-15(29)17-18(21(22,23)24)27-20(32-17)28-9-5-4-6-10-28/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,25,26)
InChIKeyQEOFCLJWDBXOOS-UHFFFAOYSA-N
MW454.45 g/mol
LogP3.87
Rot. Bonds8

About ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate

ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate (PubChem CID 58428483) has the molecular formula C21H25F3N4O4 and a molecular weight of 454.45 g/mol. Its IUPAC name is ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate
PubChem CID58428483
Molecular FormulaC21H25F3N4O4
Molecular Weight454.45 g/mol
Exact Mass454.18
IUPAC Nameethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(CC(=O)c2oc(N3CCCCC3)nc2C(F)(F)F)cn1
InChIInChI=1S/C21H25F3N4O4/c1-3-31-19(30)13(2)26-16-8-7-14(12-25-16)11-15(29)17-18(21(22,23)24)27-20(32-17)28-9-5-4-6-10-28/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,25,26)
InChIKeyQEOFCLJWDBXOOS-UHFFFAOYSA-N
XLogP3.87
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate with MolForge

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Related Compounds

Ethyl 1-(5-(2-(piperidin-1-yl)-4-(trifluoromethyl)oxazole-5-carboxamido)pyridin-2-yl)piperidine-4-carboxylate
CID 67293479
Ethyl 1-[5-[[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidine-4-carboxylate
CID 67293558
Ethyl 1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylate
CID 72545307
Ethyl 2-[1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 72545308
Ethyl 4-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 72545309
Ethyl 1-[5-[[2-morpholin-4-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidine-4-carboxylate
CID 67293628
Ethyl 1-[5-[[2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidine-4-carboxylate
CID 67293673
Ethyl 1-[5-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidine-4-carboxylate
CID 67293707
(2-Methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 76327957
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]pyridin-3-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207541
2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46209010
4-[4-[5-[[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]-1,4-diazepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 46209351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate?
The IUPAC name of ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate (CID 58428483) is ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate is CCOC(=O)C(C)Nc1ccc(CC(=O)c2oc(N3CCCCC3)nc2C(F)(F)F)cn1.
What is the InChIKey of ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate?
The InChIKey is QEOFCLJWDBXOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O4/c1-3-31-19(30)13(2)26-16-8-7-14(12-25-16)11-15(29)17-18(21(22,23)24)27-20(32-17)28-9-5-4-6-10-28/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,25,26).
What are the key properties of ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate?
ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate has a molecular weight of 454.45 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 58428483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).