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

C18H18N4O3 — CID 3631234

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cc(C)ccn3)n2)cc1
InChIInChI=1S/C18H18N4O3/c1-12-9-10-19-15(11-12)20-16(23)7-8-17-21-18(22-25-17)13-3-5-14(24-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,23)
InChIKeyHUAZNSMFUAZXEU-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.02
Rot. Bonds6

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

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 3631234) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID3631234
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cc(C)ccn3)n2)cc1
InChIInChI=1S/C18H18N4O3/c1-12-9-10-19-15(11-12)20-16(23)7-8-17-21-18(22-25-17)13-3-5-14(24-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,23)
InChIKeyHUAZNSMFUAZXEU-UHFFFAOYSA-N
XLogP3.02
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 17354513
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143
N-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354549
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196
N-(2,5-dimethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758426
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-2-pyridinyl)butanamide
CID 55650824
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3239217

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide (CID 3631234) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide is COc1ccc(-c2noc(CCC(=O)Nc3cc(C)ccn3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is HUAZNSMFUAZXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-9-10-19-15(11-12)20-16(23)7-8-17-21-18(22-25-17)13-3-5-14(24-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,23).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 338.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 3631234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).