6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]

C22H23N3O3 — CID 154015424

IUPAC6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCc1nc(-c2ccc(COc3ccc4c(c3)OCC43CCNCC3)cc2)no1
InChIInChI=1S/C22H23N3O3/c1-15-24-21(25-28-15)17-4-2-16(3-5-17)13-26-18-6-7-19-20(12-18)27-14-22(19)8-10-23-11-9-22/h2-7,12,23H,8-11,13-14H2,1H3
InChIKeyJEZGQEOSRWOJLK-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.64
Rot. Bonds4

About 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]

6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine] (PubChem CID 154015424) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]
PubChem CID154015424
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCc1nc(-c2ccc(COc3ccc4c(c3)OCC43CCNCC3)cc2)no1
InChIInChI=1S/C22H23N3O3/c1-15-24-21(25-28-15)17-4-2-16(3-5-17)13-26-18-6-7-19-20(12-18)27-14-22(19)8-10-23-11-9-22/h2-7,12,23H,8-11,13-14H2,1H3
InChIKeyJEZGQEOSRWOJLK-UHFFFAOYSA-N
XLogP3.64
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine] with MolForge

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Related Compounds

3-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 66656052
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-methyl-1,2,4-oxadiazole
CID 17436419
tert-butyl 3-[6-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanoate
CID 66656008
3-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]phenyl]-5-methyl-1,2,4-oxadiazole
CID 71899929
ethyl 3-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
CID 39331926
3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide
CID 55631453
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
5-methyl-3-[4-[(5-nitrothiophen-3-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 86808315
8-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3,4-dihydro-2H-5,1,2-benzoxathiazepine
CID 123679604
3-[6-[(4-methylsulfonylphenyl)methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 66656002
3-(3-fluoro-4-methylphenyl)-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-1,2,4-oxadiazole
CID 51333661
5-methyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 47025975

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine] (CID 154015424) is 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine] is Cc1nc(-c2ccc(COc3ccc4c(c3)OCC43CCNCC3)cc2)no1.
What is the InChIKey of 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is JEZGQEOSRWOJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-24-21(25-28-15)17-4-2-16(3-5-17)13-26-18-6-7-19-20(12-18)27-14-22(19)8-10-23-11-9-22/h2-7,12,23H,8-11,13-14H2,1H3.
What are the key properties of 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine]?
6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 377.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]spiro[2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 154015424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).