5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one

C26H24F3N5O5 — CID 164566562

IUPAC5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)nc2)o1
InChIInChI=1S/C26H24F3N5O5/c27-26(28,29)38-20-4-2-1-3-18(20)22-19(23(39-33-22)15-5-6-15)14-36-17-9-11-34(12-10-17)21-8-7-16(13-30-21)24-31-32-25(35)37-24/h1-4,7-8,13,15,17H,5-6,9-12,14H2,(H,32,35)
InChIKeyHDMZNDFSNMUDFF-UHFFFAOYSA-N
MW543.50 g/mol
LogP5.04
Rot. Bonds8

About 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one

5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 164566562) has the molecular formula C26H24F3N5O5 and a molecular weight of 543.50 g/mol. Its IUPAC name is 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID164566562
Molecular FormulaC26H24F3N5O5
Molecular Weight543.50 g/mol
Exact Mass543.17
IUPAC Name5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)nc2)o1
InChIInChI=1S/C26H24F3N5O5/c27-26(28,29)38-20-4-2-1-3-18(20)22-19(23(39-33-22)15-5-6-15)14-36-17-9-11-34(12-10-17)21-8-7-16(13-30-21)24-31-32-25(35)37-24/h1-4,7-8,13,15,17H,5-6,9-12,14H2,(H,32,35)
InChIKeyHDMZNDFSNMUDFF-UHFFFAOYSA-N
XLogP5.04
TPSA119.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one (CID 164566562) is 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)nc2)o1.
What is the InChIKey of 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is HDMZNDFSNMUDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O5/c27-26(28,29)38-20-4-2-1-3-18(20)22-19(23(39-33-22)15-5-6-15)14-36-17-9-11-34(12-10-17)21-8-7-16(13-30-21)24-31-32-25(35)37-24/h1-4,7-8,13,15,17H,5-6,9-12,14H2,(H,32,35).
What are the key properties of 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one?
5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 543.50 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 164566562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).