ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate

C22H26F3N5O4 — CID 58428629

IUPACethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H26F3N5O4/c1-2-33-21(32)30-11-9-28(10-12-30)17-6-5-15(14-26-17)13-16(31)18-19(22(23,24)25)27-20(34-18)29-7-3-4-8-29/h5-6,14H,2-4,7-13H2,1H3
InChIKeyXGENIXTWQBWJFN-UHFFFAOYSA-N
MW481.48 g/mol
LogP3.39
Rot. Bonds6

About ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate

ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 58428629) has the molecular formula C22H26F3N5O4 and a molecular weight of 481.48 g/mol. Its IUPAC name is ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID58428629
Molecular FormulaC22H26F3N5O4
Molecular Weight481.48 g/mol
Exact Mass481.19
IUPAC Nameethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H26F3N5O4/c1-2-33-21(32)30-11-9-28(10-12-30)17-6-5-15(14-26-17)13-16(31)18-19(22(23,24)25)27-20(34-18)29-7-3-4-8-29/h5-6,14H,2-4,7-13H2,1H3
InChIKeyXGENIXTWQBWJFN-UHFFFAOYSA-N
XLogP3.39
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate with MolForge

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Related Compounds

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-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
N-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46208789
N-[6-[[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]amino]pyridin-3-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212520
Ethyl 2-(1-(5-(2-(piperidin-1-yl)-4-(trifluoromethyl)oxazole-5-carboxamido)pyridin-2-yl)piperidin-4-yl)acetate
CID 57485441
1-[(4-Fluorophenyl)methyl]-3-[4-[3-(1,3-oxazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247796
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428459
2-[6-[4-[2-(2,6-Difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428461
Cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 58428462

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate (CID 58428629) is ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCC4)nc3C(F)(F)F)cn2)CC1.
What is the InChIKey of ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is XGENIXTWQBWJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O4/c1-2-33-21(32)30-11-9-28(10-12-30)17-6-5-15(14-26-17)13-16(31)18-19(22(23,24)25)27-20(34-18)29-7-3-4-8-29/h5-6,14H,2-4,7-13H2,1H3.
What are the key properties of ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 481.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 58428629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).