1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone

C158H166N10O34S2 — CID 159713256

IUPAC1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone
SMILESCCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(-c2nnc(C)o2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(-c2nnc(C)s2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(-c2nnc(C)s2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(N2CCOCC2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(N2CCOCC2)cc1.COc1cc(C(OC)C(=O)c2ccc(-c3cc(OC)c(C)c(OC)c3)o2)ccc1-n1cccn1
InChIInChI=1S/2C27H31NO6.2C26H26N2O6.2C26H26N2O5S/c2*1-5-33-27(19-6-8-21(9-7-19)28-12-14-32-15-13-28)26(29)23-11-10-22(34-23)20-16-24(30-3)18(2)25(17-20)31-4;1-16-22(30-2)14-18(15-23(16)31-3)20-9-10-21(34-20)25(29)26(33-5)17-7-8-19(24(13-17)32-4)28-12-6-11-27-28;1-6-32-25(17-7-9-18(10-8-17)26-28-27-16(3)33-26)24(29)21-12-11-20(34-21)19-13-22(30-4)15(2)23(14-19)31-5;2*1-6-32-25(17-7-9-18(10-8-17)26-28-27-16(3)34-26)24(29)21-12-11-20(33-21)19-13-22(30-4)15(2)23(14-19)31-5/h2*6-11,16-17,27H,5,12-15H2,1-4H3;6-15,26H,1-5H3;3*7-14,25H,6H2,1-5H3
InChIKeyMZCLPIXSUHIFOH-UHFFFAOYSA-N
MW2813.24 g/mol
LogP32.89
Rot. Bonds54

About 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone

1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone (PubChem CID 159713256) has the molecular formula C158H166N10O34S2 and a molecular weight of 2813.24 g/mol. Its IUPAC name is 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone
PubChem CID159713256
Molecular FormulaC158H166N10O34S2
Molecular Weight2813.24 g/mol
Exact Mass2811.10
IUPAC Name1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone
SMILESCCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(-c2nnc(C)o2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(-c2nnc(C)s2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(-c2nnc(C)s2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(N2CCOCC2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(N2CCOCC2)cc1.COc1cc(C(OC)C(=O)c2ccc(-c3cc(OC)c(C)c(OC)c3)o2)ccc1-n1cccn1
InChIInChI=1S/2C27H31NO6.2C26H26N2O6.2C26H26N2O5S/c2*1-5-33-27(19-6-8-21(9-7-19)28-12-14-32-15-13-28)26(29)23-11-10-22(34-23)20-16-24(30-3)18(2)25(17-20)31-4;1-16-22(30-2)14-18(15-23(16)31-3)20-9-10-21(34-20)25(29)26(33-5)17-7-8-19(24(13-17)32-4)28-12-6-11-27-28;1-6-32-25(17-7-9-18(10-8-17)26-28-27-16(3)33-26)24(29)21-12-11-20(34-21)19-13-22(30-4)15(2)23(14-19)31-5;2*1-6-32-25(17-7-9-18(10-8-17)26-28-27-16(3)34-26)24(29)21-12-11-20(33-21)19-13-22(30-4)15(2)23(14-19)31-5/h2*6-11,16-17,27H,5,12-15H2,1-4H3;6-15,26H,1-5H3;3*7-14,25H,6H2,1-5H3
InChIKeyMZCLPIXSUHIFOH-UHFFFAOYSA-N
XLogP32.89
TPSA489.87 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds54
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002813.24
LogP ≤ 532.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone with MolForge

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Related Compounds

1-[5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone
CID 53378117
(2S)-1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]ethanone
CID 118683115
1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone
CID 129174870
2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;2-ethoxy-N-methoxy-N-methyl-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 160963163
N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-ethoxy-3,5-dimethoxyphenyl)furan;1-[5-(4-ethoxy-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
CID 158815178
2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 158502928
N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
CID 158593804
1-[5-(4-bromo-3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
CID 58432139
[2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
CID 162071379
1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
CID 58432015
N-[[4-(4-bromo-3,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2-methoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 163628491
ethanimidoyl 4-[2-[5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl]-1-ethoxy-2-oxoethyl]benzenecarboximidate
CID 137448321

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone?
The IUPAC name of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone (CID 159713256) is 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone.
What is the SMILES notation for 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone?
The canonical SMILES for 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone is CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(-c2nnc(C)o2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(-c2nnc(C)s2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(-c2nnc(C)s2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(N2CCOCC2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(C)c(OC)c2)o1)c1ccc(N2CCOCC2)cc1.COc1cc(C(OC)C(=O)c2ccc(-c3cc(OC)c(C)c(OC)c3)o2)ccc1-n1cccn1.
What is the InChIKey of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone?
The InChIKey is MZCLPIXSUHIFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31NO6.2C26H26N2O6.2C26H26N2O5S/c2*1-5-33-27(19-6-8-21(9-7-19)28-12-14-32-15-13-28)26(29)23-11-10-22(34-23)20-16-24(30-3)18(2)25(17-20)31-4;1-16-22(30-2)14-18(15-23(16)31-3)20-9-10-21(34-20)25(29)26(33-5)17-7-8-19(24(13-17)32-4)28-12-6-11-27-28;1-6-32-25(17-7-9-18(10-8-17)26-28-27-16(3)33-26)24(29)21-12-11-20(34-21)19-13-22(30-4)15(2)23(14-19)31-5;2*1-6-32-25(17-7-9-18(10-8-17)26-28-27-16(3)34-26)24(29)21-12-11-20(33-21)19-13-22(30-4)15(2)23(14-19)31-5/h2*6-11,16-17,27H,5,12-15H2,1-4H3;6-15,26H,1-5H3;3*7-14,25H,6H2,1-5H3.
What are the key properties of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone?
1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone has a molecular weight of 2813.24 g/mol, XLogP of 32.89, 54 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone;bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone);bis(1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-(4-morpholin-4-ylphenyl)ethanone);1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(3-methoxy-4-pyrazol-1-ylphenyl)ethanone is sourced from PubChem (CID 159713256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).