[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

C27H30N4O5 — CID 71512275

IUPAC[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
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC[C@@]6(CCOC6)C5)cc4)C3)o2)cc1
InChIInChI=1S/C27H30N4O5/c1-33-21-8-4-20(5-9-21)24-28-29-25(36-24)26(32)31-15-23(16-31)35-22-6-2-19(3-7-22)14-30-12-10-27(17-30)11-13-34-18-27/h2-9,23H,10-18H2,1H3/t27-/m1/s1
InChIKeyHLSYKQQXQCWJFC-HHHXNRCGSA-N
MW490.56 g/mol
LogP3.26
Rot. Bonds7

About [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

[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 (PubChem CID 71512275) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID71512275
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name[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
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC[C@@]6(CCOC6)C5)cc4)C3)o2)cc1
InChIInChI=1S/C27H30N4O5/c1-33-21-8-4-20(5-9-21)24-28-29-25(36-24)26(32)31-15-23(16-31)35-22-6-2-19(3-7-22)14-30-12-10-27(17-30)11-13-34-18-27/h2-9,23H,10-18H2,1H3/t27-/m1/s1
InChIKeyHLSYKQQXQCWJFC-HHHXNRCGSA-N
XLogP3.26
TPSA90.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [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 with MolForge

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Related Compounds

[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-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 91506654
[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methanone
CID 56598127
(3-phenoxyazetidin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 141329300
[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]methanone
CID 56598129
[3-[3-(difluoromethoxy)-4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 66655779
[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
2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 131646910
[3-[4-[[butyl(2-hydroxyethyl)amino]methyl]-2-methylphenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 148608751
(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385034
(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391085
[2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97370069

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC[C@@]6(CCOC6)C5)cc4)C3)o2)cc1.
What is the InChIKey of [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?
The InChIKey is HLSYKQQXQCWJFC-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-33-21-8-4-20(5-9-21)24-28-29-25(36-24)26(32)31-15-23(16-31)35-22-6-2-19(3-7-22)14-30-12-10-27(17-30)11-13-34-18-27/h2-9,23H,10-18H2,1H3/t27-/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 490.56 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 71512275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).