N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide

C26H25N3O5 — CID 2202529

IUPACN-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)cc1
InChIInChI=1S/C26H25N3O5/c1-31-21-12-4-17(5-13-21)6-15-24(30)27-20-10-7-18(8-11-20)25-28-26(34-29-25)19-9-14-22(32-2)23(16-19)33-3/h4-5,7-14,16H,6,15H2,1-3H3,(H,27,30)
InChIKeyKOFFQBIUFZKYGX-UHFFFAOYSA-N
MW459.50 g/mol
LogP5.00
Rot. Bonds9

About N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide

N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 2202529) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID2202529
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC NameN-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)cc1
InChIInChI=1S/C26H25N3O5/c1-31-21-12-4-17(5-13-21)6-15-24(30)27-20-10-7-18(8-11-20)25-28-26(34-29-25)19-9-14-22(32-2)23(16-19)33-3/h4-5,7-14,16H,6,15H2,1-3H3,(H,27,30)
InChIKeyKOFFQBIUFZKYGX-UHFFFAOYSA-N
XLogP5.00
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide with MolForge

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Related Compounds

2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
2-Amino-2-((5-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)indolin-1-yl)methyl)propane-1,3-diol
CID 46195170
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
6-Methoxy-3-(5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)quinolin-2-ol
CID 946390
2-Methoxy-6-(4-methylphenyl)-3-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2000144
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2018317
N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-pyridinecarboxamide
CID 4457834
3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 4973003
3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 645424
6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinolin-2(1H)-one
CID 664662
4-[4-[3-(3,4,5-Trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide
CID 1831249
2-(4-methoxyphenyl)-N-{4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}acetamide
CID 2201684

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide (CID 2202529) is N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)cc1.
What is the InChIKey of N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is KOFFQBIUFZKYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-31-21-12-4-17(5-13-21)6-15-24(30)27-20-10-7-18(8-11-20)25-28-26(34-29-25)19-9-14-22(32-2)23(16-19)33-3/h4-5,7-14,16H,6,15H2,1-3H3,(H,27,30).
What are the key properties of N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 459.50 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 2202529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).