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

C22H26N4O4 — CID 45173485

IUPAC3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide
SMILESCCC(NC(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1)c1ccncc1
InChIInChI=1S/C22H26N4O4/c1-4-18(15-9-11-23-12-10-15)24-20(27)7-8-21-25-26-22(30-21)14-16-13-17(28-2)5-6-19(16)29-3/h5-6,9-13,18H,4,7-8,14H2,1-3H3,(H,24,27)
InChIKeyVAYUPNGTCLZICM-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.27
Rot. Bonds10

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

3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide (PubChem CID 45173485) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide
PubChem CID45173485
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide
SMILESCCC(NC(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1)c1ccncc1
InChIInChI=1S/C22H26N4O4/c1-4-18(15-9-11-23-12-10-15)24-20(27)7-8-21-25-26-22(30-21)14-16-13-17(28-2)5-6-19(16)29-3/h5-6,9-13,18H,4,7-8,14H2,1-3H3,(H,24,27)
InChIKeyVAYUPNGTCLZICM-UHFFFAOYSA-N
XLogP3.27
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide
CID 42513539
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
CID 45221927
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
N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18115498
4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide
CID 119884880
1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 25309528
methyl 3-(3,4-dimethoxyphenyl)-3-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoate
CID 55501269
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 51272048
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
2-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133200186
4-methoxy-N-(1-pyridin-4-ylpropyl)pyridine-2-carboxamide
CID 91763496

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide?
The IUPAC name of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide (CID 45173485) is 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide?
The canonical SMILES for 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide is CCC(NC(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1)c1ccncc1.
What is the InChIKey of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide?
The InChIKey is VAYUPNGTCLZICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-4-18(15-9-11-23-12-10-15)24-20(27)7-8-21-25-26-22(30-21)14-16-13-17(28-2)5-6-19(16)29-3/h5-6,9-13,18H,4,7-8,14H2,1-3H3,(H,24,27).
What are the key properties of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide?
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide has a molecular weight of 410.47 g/mol, XLogP of 3.27, 10 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-(1-pyridin-4-ylpropyl)propanamide is sourced from PubChem (CID 45173485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).