1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol

C28H33N3O7 — CID 10229906

IUPAC1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol
SMILESCOc1cc(OC)c(C2CCN(CC(O)COc3cccc4oc(-c5nnc(C)o5)cc34)CC2)c(OC)c1
InChIInChI=1S/C28H33N3O7/c1-17-29-30-28(37-17)26-14-21-22(6-5-7-23(21)38-26)36-16-19(32)15-31-10-8-18(9-11-31)27-24(34-3)12-20(33-2)13-25(27)35-4/h5-7,12-14,18-19,32H,8-11,15-16H2,1-4H3
InChIKeyLSYGESXIVNFUCH-UHFFFAOYSA-N
MW523.59 g/mol
LogP4.44
Rot. Bonds10

About 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol

1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol (PubChem CID 10229906) has the molecular formula C28H33N3O7 and a molecular weight of 523.59 g/mol. Its IUPAC name is 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol
PubChem CID10229906
Molecular FormulaC28H33N3O7
Molecular Weight523.59 g/mol
Exact Mass523.23
IUPAC Name1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol
SMILESCOc1cc(OC)c(C2CCN(CC(O)COc3cccc4oc(-c5nnc(C)o5)cc34)CC2)c(OC)c1
InChIInChI=1S/C28H33N3O7/c1-17-29-30-28(37-17)26-14-21-22(6-5-7-23(21)38-26)36-16-19(32)15-31-10-8-18(9-11-31)27-24(34-3)12-20(33-2)13-25(27)35-4/h5-7,12-14,18-19,32H,8-11,15-16H2,1-4H3
InChIKeyLSYGESXIVNFUCH-UHFFFAOYSA-N
XLogP4.44
TPSA112.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

ethane;1-[4-(4-methoxy-2-methylphenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 142942868
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306533
(2S)-1-[4-(3,4-dimethylphenyl)piperidin-1-yl]-3-[[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306452
1-[(2S)-2-hydroxy-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propyl]-4-naphthalen-2-ylpiperidin-4-ol;hydrochloride
CID 69497881
(2S)-1-[4-(3,4-dimethylphenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3-oxazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 58825300
1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride
CID 142653320
1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306517
1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 22729230
1-[4-(3,4-dihydro-2H-chromen-6-yl)piperidin-1-yl]-3-[[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
CID 21306549
1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
CID 135794314
1-[[2-(1-hydroxyethyl)-1-benzofuran-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
CID 22729129
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 12961770

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol (CID 10229906) is 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol is COc1cc(OC)c(C2CCN(CC(O)COc3cccc4oc(-c5nnc(C)o5)cc34)CC2)c(OC)c1.
What is the InChIKey of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol?
The InChIKey is LSYGESXIVNFUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O7/c1-17-29-30-28(37-17)26-14-21-22(6-5-7-23(21)38-26)36-16-19(32)15-31-10-8-18(9-11-31)27-24(34-3)12-20(33-2)13-25(27)35-4/h5-7,12-14,18-19,32H,8-11,15-16H2,1-4H3.
What are the key properties of 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol?
1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol has a molecular weight of 523.59 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 10229906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).