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

C25H28F3N5O5 — CID 58428462

IUPACcyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
SMILESO=C(Cc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)nc1)c1oc(N2CCCC2=O)nc1C(F)(F)F
InChIInChI=1S/C25H28F3N5O5/c26-25(27,28)22-21(38-23(30-22)33-9-3-6-20(33)35)18(34)14-16-7-8-19(29-15-16)31-10-12-32(13-11-31)24(36)37-17-4-1-2-5-17/h7-8,15,17H,1-6,9-14H2
InChIKeyXDTRLBLDPWSXEY-UHFFFAOYSA-N
MW535.52 g/mol
LogP3.84
Rot. Bonds6

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

cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 58428462) has the molecular formula C25H28F3N5O5 and a molecular weight of 535.52 g/mol. Its IUPAC name is cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID58428462
Molecular FormulaC25H28F3N5O5
Molecular Weight535.52 g/mol
Exact Mass535.20
IUPAC Namecyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate
SMILESO=C(Cc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)nc1)c1oc(N2CCCC2=O)nc1C(F)(F)F
InChIInChI=1S/C25H28F3N5O5/c26-25(27,28)22-21(38-23(30-22)33-9-3-6-20(33)35)18(34)14-16-7-8-19(29-15-16)31-10-12-32(13-11-31)24(36)37-17-4-1-2-5-17/h7-8,15,17H,1-6,9-14H2
InChIKeyXDTRLBLDPWSXEY-UHFFFAOYSA-N
XLogP3.84
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

(2-Methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 76327957
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
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[4-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428463
2-[6-[4-[2-(2-Phenylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428474
2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-[(3S)-3-phenylpiperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428475
2-[6-[4-[2-(2,4-Difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428482
Ethyl 2-[[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]amino]propanoate
CID 58428483
2-Cyclopropyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58428486
1-[1-[5-[2-Oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3-propan-2-ylurea
CID 58428487
2-[6-[4-[2-(2-Chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428488

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of 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) is cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate is O=C(Cc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)nc1)c1oc(N2CCCC2=O)nc1C(F)(F)F.
What is the InChIKey of cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is XDTRLBLDPWSXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O5/c26-25(27,28)22-21(38-23(30-22)33-9-3-6-20(33)35)18(34)14-16-7-8-19(29-15-16)31-10-12-32(13-11-31)24(36)37-17-4-1-2-5-17/h7-8,15,17H,1-6,9-14H2.
What are the key properties of cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate?
cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 535.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[5-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 58428462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).