3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide

C25H32N4O3 — CID 46455974

IUPAC3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NCc3ccccc3CN(C)C(C)C)n2)cc1
InChIInChI=1S/C25H32N4O3/c1-5-31-22-12-10-19(11-13-22)25-27-24(32-28-25)15-14-23(30)26-16-20-8-6-7-9-21(20)17-29(4)18(2)3/h6-13,18H,5,14-17H2,1-4H3,(H,26,30)
InChIKeySDXDNPCTSQLFJH-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.22
Rot. Bonds11

About 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide (PubChem CID 46455974) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
PubChem CID46455974
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NCc3ccccc3CN(C)C(C)C)n2)cc1
InChIInChI=1S/C25H32N4O3/c1-5-31-22-12-10-19(11-13-22)25-27-24(32-28-25)15-14-23(30)26-16-20-8-6-7-9-21(20)17-29(4)18(2)3/h6-13,18H,5,14-17H2,1-4H3,(H,26,30)
InChIKeySDXDNPCTSQLFJH-UHFFFAOYSA-N
XLogP4.22
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
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CID 37266459
3-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
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N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225
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CID 39638742
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CID 55840052
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55715489
N-[(2-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30329305
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]propanamide
CID 55892359
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide (CID 46455974) is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide is CCOc1ccc(-c2noc(CCC(=O)NCc3ccccc3CN(C)C(C)C)n2)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide?
The InChIKey is SDXDNPCTSQLFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-5-31-22-12-10-19(11-13-22)25-27-24(32-28-25)15-14-23(30)26-16-20-8-6-7-9-21(20)17-29(4)18(2)3/h6-13,18H,5,14-17H2,1-4H3,(H,26,30).
What are the key properties of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide?
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide has a molecular weight of 436.56 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 46455974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).