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

C23H27F3N4O4 — CID 58428690

IUPACethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CC(=O)c3oc(N4CCCC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C23H27F3N4O4/c1-2-33-21(32)16-7-11-29(12-8-16)18-6-5-15(14-27-18)13-17(31)19-20(23(24,25)26)28-22(34-19)30-9-3-4-10-30/h5-6,14,16H,2-4,7-13H2,1H3
InChIKeyNHBBNLMKLSGNJR-UHFFFAOYSA-N
MW480.49 g/mol
LogP3.89
Rot. Bonds7

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

ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 58428690) has the molecular formula C23H27F3N4O4 and a molecular weight of 480.49 g/mol. Its IUPAC name is ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate
PubChem CID58428690
Molecular FormulaC23H27F3N4O4
Molecular Weight480.49 g/mol
Exact Mass480.20
IUPAC Nameethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CC(=O)c3oc(N4CCCC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C23H27F3N4O4/c1-2-33-21(32)16-7-11-29(12-8-16)18-6-5-15(14-27-18)13-17(31)19-20(23(24,25)26)28-22(34-19)30-9-3-4-10-30/h5-6,14,16H,2-4,7-13H2,1H3
InChIKeyNHBBNLMKLSGNJR-UHFFFAOYSA-N
XLogP3.89
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate (CID 58428690) is ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(CC(=O)c3oc(N4CCCC4)nc3C(F)(F)F)cn2)CC1.
What is the InChIKey of ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is NHBBNLMKLSGNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O4/c1-2-33-21(32)16-7-11-29(12-8-16)18-6-5-15(14-27-18)13-17(31)19-20(23(24,25)26)28-22(34-19)30-9-3-4-10-30/h5-6,14,16H,2-4,7-13H2,1H3.
What are the key properties of ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate?
ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 480.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[2-oxo-2-[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 58428690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).