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

C23H27N3O5 — CID 23723747

IUPAC3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)c1
InChIInChI=1S/C23H27N3O5/c1-28-18-6-4-5-16(13-18)11-12-24-21(27)9-10-22-25-26-23(31-22)15-17-14-19(29-2)7-8-20(17)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyUDWZXRUMARFMDM-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.98
Rot. Bonds11

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

3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 23723747) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID23723747
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)c1
InChIInChI=1S/C23H27N3O5/c1-28-18-6-4-5-16(13-18)11-12-24-21(27)9-10-22-25-26-23(31-22)15-17-14-19(29-2)7-8-20(17)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyUDWZXRUMARFMDM-UHFFFAOYSA-N
XLogP2.98
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 23723747) is 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)c1.
What is the InChIKey of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is UDWZXRUMARFMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-28-18-6-4-5-16(13-18)11-12-24-21(27)9-10-22-25-26-23(31-22)15-17-14-19(29-2)7-8-20(17)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,27).
What are the key properties of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 425.49 g/mol, XLogP of 2.98, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 23723747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).