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

C22H25N3O5 — CID 3239836

IUPACN-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cc(OC)ccc1OC
InChIInChI=1S/C22H25N3O5/c1-5-25(18-14-17(28-3)10-11-19(18)29-4)21(26)13-12-20-23-22(24-30-20)15-6-8-16(27-2)9-7-15/h6-11,14H,5,12-13H2,1-4H3
InChIKeyLRIHVJAWLVEUPP-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.75
Rot. Bonds9

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

N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3239836) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3239836
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cc(OC)ccc1OC
InChIInChI=1S/C22H25N3O5/c1-5-25(18-14-17(28-3)10-11-19(18)29-4)21(26)13-12-20-23-22(24-30-20)15-6-8-16(27-2)9-7-15/h6-11,14H,5,12-13H2,1-4H3
InChIKeyLRIHVJAWLVEUPP-UHFFFAOYSA-N
XLogP3.75
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide
CID 3159507
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 665665
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)propanamide
CID 866833
1-{[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenylpiperazine
CID 2215139
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3236100
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide
CID 3239198
1-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 3241668
1-{3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3243472
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide
CID 3806837
N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 15989968
1-[4-(2-Fluorophenyl)piperazino]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 16002734
N-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 16017926

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3239836) is N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is LRIHVJAWLVEUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-5-25(18-14-17(28-3)10-11-19(18)29-4)21(26)13-12-20-23-22(24-30-20)15-6-8-16(27-2)9-7-15/h6-11,14H,5,12-13H2,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 411.46 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3239836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).