[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone

C25H25N3O4 — CID 91506654

IUPAC[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(COC4)C3)cc2)C1
InChIInChI=1S/C25H25N3O4/c29-24(23-26-10-22(32-23)19-4-2-1-3-5-19)28-12-21(13-28)31-20-8-6-18(7-9-20)11-27-14-25(15-27)16-30-17-25/h1-10,21H,11-17H2
InChIKeyFDZARSIRSAYHGZ-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.08
Rot. Bonds6

About [3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone

[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone (PubChem CID 91506654) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is [3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
PubChem CID91506654
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(COC4)C3)cc2)C1
InChIInChI=1S/C25H25N3O4/c29-24(23-26-10-22(32-23)19-4-2-1-3-5-19)28-12-21(13-28)31-20-8-6-18(7-9-20)11-27-14-25(15-27)16-30-17-25/h1-10,21H,11-17H2
InChIKeyFDZARSIRSAYHGZ-UHFFFAOYSA-N
XLogP3.08
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]phenoxy]azetidin-1-yl]methanone
CID 71512275
(3-phenoxyazetidin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 141329300
[3-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 127030070
[3-[3-methoxy-4-(2-oxa-5-azaspiro[3.4]octan-5-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 71226289
(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 127810988
[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
CID 16949896
2-[4-[[(3S)-3-phenoxypyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125441615
1,4-diazabicyclo[3.2.1]octan-4-yl-(5-phenyl-1,3-oxazol-2-yl)methanone;hydrochloride
CID 69434311
(1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone
CID 159937564
[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone
CID 56598129
[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17446724
[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methanone
CID 56598127

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone (CID 91506654) is [3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone is O=C(c1ncc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(COC4)C3)cc2)C1.
What is the InChIKey of [3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
The InChIKey is FDZARSIRSAYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-24(23-26-10-22(32-23)19-4-2-1-3-5-19)28-12-21(13-28)31-20-8-6-18(7-9-20)11-27-14-25(15-27)16-30-17-25/h1-10,21H,11-17H2.
What are the key properties of [3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone?
[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone has a molecular weight of 431.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 91506654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).