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

C18H25N3O4 — CID 42513539

IUPAC3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1
InChIInChI=1S/C18H25N3O4/c1-5-21(6-2)18(22)10-9-16-19-20-17(25-16)12-13-11-14(23-3)7-8-15(13)24-4/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyHDNSBJHMWLKNBJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.48
Rot. Bonds9

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

3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide (PubChem CID 42513539) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide
PubChem CID42513539
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1
InChIInChI=1S/C18H25N3O4/c1-5-21(6-2)18(22)10-9-16-19-20-17(25-16)12-13-11-14(23-3)7-8-15(13)24-4/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyHDNSBJHMWLKNBJ-UHFFFAOYSA-N
XLogP2.48
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 25309528
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide
CID 45173485
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
CID 42383402
5-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 21046065
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
3-(2,5-dimethoxyphenyl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 38021262
2-(2,5-dimethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806360
3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide
CID 42241082
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55550381
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18115741
N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334734
N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2019912

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide?
The IUPAC name of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide (CID 42513539) is 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide?
The canonical SMILES for 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1.
What is the InChIKey of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide?
The InChIKey is HDNSBJHMWLKNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-5-21(6-2)18(22)10-9-16-19-20-17(25-16)12-13-11-14(23-3)7-8-15(13)24-4/h7-8,11H,5-6,9-10,12H2,1-4H3.
What are the key properties of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide?
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 6 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,N-diethylpropanamide is sourced from PubChem (CID 42513539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).