[3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone

C23H34F2N4O3 — CID 176759323

IUPAC[3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone
SMILESCC(C)C1(c2noc(C3CCC(F)(F)CC3)n2)CN(C(=O)[C@@H]2C[C@@H](O)C3(CCC3)CN2)C1
InChIInChI=1S/C23H34F2N4O3/c1-14(2)22(20-27-18(32-28-20)15-4-8-23(24,25)9-5-15)12-29(13-22)19(31)16-10-17(30)21(11-26-16)6-3-7-21/h14-17,26,30H,3-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyGGZJFIGUCCPFMR-DLBZAZTESA-N
MW452.55 g/mol
LogP2.99
Rot. Bonds4

About [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone

[3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 176759323) has the molecular formula C23H34F2N4O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name[3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID176759323
Molecular FormulaC23H34F2N4O3
Molecular Weight452.55 g/mol
Exact Mass452.26
IUPAC Name[3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone
SMILESCC(C)C1(c2noc(C3CCC(F)(F)CC3)n2)CN(C(=O)[C@@H]2C[C@@H](O)C3(CCC3)CN2)C1
InChIInChI=1S/C23H34F2N4O3/c1-14(2)22(20-27-18(32-28-20)15-4-8-23(24,25)9-5-15)12-29(13-22)19(31)16-10-17(30)21(11-26-16)6-3-7-21/h14-17,26,30H,3-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyGGZJFIGUCCPFMR-DLBZAZTESA-N
XLogP2.99
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone (CID 176759323) is [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone is CC(C)C1(c2noc(C3CCC(F)(F)CC3)n2)CN(C(=O)[C@@H]2C[C@@H](O)C3(CCC3)CN2)C1.
What is the InChIKey of [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is GGZJFIGUCCPFMR-DLBZAZTESA-N. The full InChI is InChI=1S/C23H34F2N4O3/c1-14(2)22(20-27-18(32-28-20)15-4-8-23(24,25)9-5-15)12-29(13-22)19(31)16-10-17(30)21(11-26-16)6-3-7-21/h14-17,26,30H,3-13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone?
[3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 452.55 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-ylazetidin-1-yl]-[(7S,9R)-9-hydroxy-6-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 176759323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).