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

C24H29N3O3 — CID 45221927

IUPAC3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCc1nnc(CCc2ccc(OC)cc2)o1)c1ccc(C)cc1
InChIInChI=1S/C24H29N3O3/c1-4-21(19-10-5-17(2)6-11-19)25-22(28)14-16-24-27-26-23(30-24)15-9-18-7-12-20(29-3)13-8-18/h5-8,10-13,21H,4,9,14-16H2,1-3H3,(H,25,28)
InChIKeyTUFMXQIVYSSPRG-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.37
Rot. Bonds10

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

3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide (PubChem CID 45221927) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
PubChem CID45221927
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCc1nnc(CCc2ccc(OC)cc2)o1)c1ccc(C)cc1
InChIInChI=1S/C24H29N3O3/c1-4-21(19-10-5-17(2)6-11-19)25-22(28)14-16-24-27-26-23(30-24)15-9-18-7-12-20(29-3)13-8-18/h5-8,10-13,21H,4,9,14-16H2,1-3H3,(H,25,28)
InChIKeyTUFMXQIVYSSPRG-UHFFFAOYSA-N
XLogP4.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42395294
N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42510383
3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100592426
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 29467289
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 51312428
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide
CID 45173485
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51187566
N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 45212918
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide (CID 45221927) is 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide is CCC(NC(=O)CCc1nnc(CCc2ccc(OC)cc2)o1)c1ccc(C)cc1.
What is the InChIKey of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide?
The InChIKey is TUFMXQIVYSSPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-21(19-10-5-17(2)6-11-19)25-22(28)14-16-24-27-26-23(30-24)15-9-18-7-12-20(29-3)13-8-18/h5-8,10-13,21H,4,9,14-16H2,1-3H3,(H,25,28).
What are the key properties of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide?
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide has a molecular weight of 407.51 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 45221927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).