morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone

C29H32F3N5O5 — CID 70997655

IUPACmorpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(-c3ccnc(N4CCOCC4)c3)co2)C1
InChIInChI=1S/C29H32F3N5O5/c30-29(31,32)42-24-3-1-20(2-4-24)22-15-23(18-37(17-22)28(38)36-9-13-40-14-10-36)27-34-25(19-41-27)21-5-6-33-26(16-21)35-7-11-39-12-8-35/h1-6,16,19,22-23H,7-15,17-18H2
InChIKeyHNWANNKFUUESMF-UHFFFAOYSA-N
MW587.60 g/mol
LogP4.50
Rot. Bonds5

About morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone

morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone (PubChem CID 70997655) has the molecular formula C29H32F3N5O5 and a molecular weight of 587.60 g/mol. Its IUPAC name is morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
PubChem CID70997655
Molecular FormulaC29H32F3N5O5
Molecular Weight587.60 g/mol
Exact Mass587.24
IUPAC Namemorpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(-c3ccnc(N4CCOCC4)c3)co2)C1
InChIInChI=1S/C29H32F3N5O5/c30-29(31,32)42-24-3-1-20(2-4-24)22-15-23(18-37(17-22)28(38)36-9-13-40-14-10-36)27-34-25(19-41-27)21-5-6-33-26(16-21)35-7-11-39-12-8-35/h1-6,16,19,22-23H,7-15,17-18H2
InChIKeyHNWANNKFUUESMF-UHFFFAOYSA-N
XLogP4.50
TPSA93.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.60
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

morpholin-4-yl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002278
[3-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002685
[3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002255
1-(morpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 58002402
ethyl [5-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl] carbonate
CID 67084287
[3-[5-(methoxymethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241481
[3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002279
[3-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241362
(3-hydroxyazetidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002213
methyl N-ethenyl-1-(morpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidine-3-carboximidate
CID 143810918
(4-methylphenyl)-[[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]methyl]carbamic acid
CID 68762970
[3-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002723

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone (CID 70997655) is morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone is O=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(-c3ccnc(N4CCOCC4)c3)co2)C1.
What is the InChIKey of morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
The InChIKey is HNWANNKFUUESMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O5/c30-29(31,32)42-24-3-1-20(2-4-24)22-15-23(18-37(17-22)28(38)36-9-13-40-14-10-36)27-34-25(19-41-27)21-5-6-33-26(16-21)35-7-11-39-12-8-35/h1-6,16,19,22-23H,7-15,17-18H2.
What are the key properties of morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone?
morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone has a molecular weight of 587.60 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[4-(2-morpholin-4-yl-4-pyridinyl)-1,3-oxazol-2-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70997655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).