5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one

C28H26F3N5O5 — CID 171420492

IUPAC5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(N3[C@@H]4CC[C@H]3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)nc2)o1
InChIInChI=1S/C28H26F3N5O5/c29-28(30,31)40-22-4-2-1-3-20(22)24-21(25(41-35-24)15-5-6-15)14-38-19-11-17-8-9-18(12-19)36(17)23-10-7-16(13-32-23)26-33-34-27(37)39-26/h1-4,7,10,13,15,17-19H,5-6,8-9,11-12,14H2,(H,34,37)/t17-,18+,19?
InChIKeyYFLHDEJDOKGGSC-DFNIBXOVSA-N
MW569.54 g/mol
LogP5.57
Rot. Bonds8

About 5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one

5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 171420492) has the molecular formula C28H26F3N5O5 and a molecular weight of 569.54 g/mol. Its IUPAC name is 5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID171420492
Molecular FormulaC28H26F3N5O5
Molecular Weight569.54 g/mol
Exact Mass569.19
IUPAC Name5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(N3[C@@H]4CC[C@H]3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)nc2)o1
InChIInChI=1S/C28H26F3N5O5/c29-28(30,31)40-22-4-2-1-3-20(22)24-21(25(41-35-24)15-5-6-15)14-38-19-11-17-8-9-18(12-19)36(17)23-10-7-16(13-32-23)26-33-34-27(37)39-26/h1-4,7,10,13,15,17-19H,5-6,8-9,11-12,14H2,(H,34,37)/t17-,18+,19?
InChIKeyYFLHDEJDOKGGSC-DFNIBXOVSA-N
XLogP5.57
TPSA119.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.54
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-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-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one (CID 171420492) is 5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(N3[C@@H]4CC[C@H]3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)nc2)o1.
What is the InChIKey of 5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is YFLHDEJDOKGGSC-DFNIBXOVSA-N. The full InChI is InChI=1S/C28H26F3N5O5/c29-28(30,31)40-22-4-2-1-3-20(22)24-21(25(41-35-24)15-5-6-15)14-38-19-11-17-8-9-18(12-19)36(17)23-10-7-16(13-32-23)26-33-34-27(37)39-26/h1-4,7,10,13,15,17-19H,5-6,8-9,11-12,14H2,(H,34,37)/t17-,18+,19?.
What are the key properties of 5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one?
5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 569.54 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 171420492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).