ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate

C24H31F3N4O3 — CID 144513395

IUPACethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCC[C@H]2NC2CCCN(c3ccc(C(F)(F)F)cc3)C2)o1
InChIInChI=1S/C24H31F3N4O3/c1-2-33-22(32)21-14-28-23(34-21)30-20-8-4-3-7-19(20)29-17-6-5-13-31(15-17)18-11-9-16(10-12-18)24(25,26)27/h9-12,14,17,19-20,29H,2-8,13,15H2,1H3,(H,28,30)/t17?,19-,20?/m1/s1
InChIKeyZDPJILGOWGAHHD-SKINQDTJSA-N
MW480.53 g/mol
LogP4.85
Rot. Bonds7

About ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate

ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate (PubChem CID 144513395) has the molecular formula C24H31F3N4O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate
PubChem CID144513395
Molecular FormulaC24H31F3N4O3
Molecular Weight480.53 g/mol
Exact Mass480.23
IUPAC Nameethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCC[C@H]2NC2CCCN(c3ccc(C(F)(F)F)cc3)C2)o1
InChIInChI=1S/C24H31F3N4O3/c1-2-33-22(32)21-14-28-23(34-21)30-20-8-4-3-7-19(20)29-17-6-5-13-31(15-17)18-11-9-16(10-12-18)24(25,26)27/h9-12,14,17,19-20,29H,2-8,13,15H2,1H3,(H,28,30)/t17?,19-,20?/m1/s1
InChIKeyZDPJILGOWGAHHD-SKINQDTJSA-N
XLogP4.85
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate (CID 144513395) is ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(NC2CCCC[C@H]2NC2CCCN(c3ccc(C(F)(F)F)cc3)C2)o1.
What is the InChIKey of ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate?
The InChIKey is ZDPJILGOWGAHHD-SKINQDTJSA-N. The full InChI is InChI=1S/C24H31F3N4O3/c1-2-33-22(32)21-14-28-23(34-21)30-20-8-4-3-7-19(20)29-17-6-5-13-31(15-17)18-11-9-16(10-12-18)24(25,26)27/h9-12,14,17,19-20,29H,2-8,13,15H2,1H3,(H,28,30)/t17?,19-,20?/m1/s1.
What are the key properties of ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate?
ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate has a molecular weight of 480.53 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 144513395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).