4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide

C30H30N4O3 — CID 10838923

IUPAC4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C4(CCN(C)CC4)CO5)cc3)c(C)c2)no1
InChIInChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35)
InChIKeyXNFJKHWCJLRFLZ-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.63
Rot. Bonds4

About 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide

4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide (PubChem CID 10838923) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide.

Molecular Properties

Compound Name4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide
PubChem CID10838923
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C4(CCN(C)CC4)CO5)cc3)c(C)c2)no1
InChIInChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35)
InChIKeyXNFJKHWCJLRFLZ-UHFFFAOYSA-N
XLogP5.63
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide with MolForge

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Related Compounds

N-(4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-carboxamide
CID 107780
SB 216641
CID 3292447
SB 224289
CID 3378093
N-[3-(3-Dimethylaminopropyl)-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide
CID 10370874
N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10577268
N-[4-(2-fluoroethoxy)-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10578117
N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10624768
N-[4-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10791443
SB 224289 hydrochloride
CID 11226716
GR 127935 hydrochloride
CID 11497466
4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-spiro[2H-1-benzofuran-3,4'-piperidine]-5-ylbenzamide;hydrochloride
CID 18672699
4-methoxy-N-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-3-(4-methylpiperazin-1-yl)benzamide
CID 10481003

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide?
The IUPAC name of 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide (CID 10838923) is 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide.
What is the SMILES notation for 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide?
The canonical SMILES for 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide is Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C4(CCN(C)CC4)CO5)cc3)c(C)c2)no1.
What is the InChIKey of 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide?
The InChIKey is XNFJKHWCJLRFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35).
What are the key properties of 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide?
4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide has a molecular weight of 494.60 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide is sourced from PubChem (CID 10838923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).