3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide

C17H16N4O3 — CID 866891

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C17H16N4O3/c1-23-14-6-4-12(5-7-14)17-20-16(24-21-17)9-8-15(22)19-13-3-2-10-18-11-13/h2-7,10-11H,8-9H2,1H3,(H,19,22)
InChIKeyYTYXJUYAXASXSB-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.71
Rot. Bonds6

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide (PubChem CID 866891) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
PubChem CID866891
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C17H16N4O3/c1-23-14-6-4-12(5-7-14)17-20-16(24-21-17)9-8-15(22)19-13-3-2-10-18-11-13/h2-7,10-11H,8-9H2,1H3,(H,19,22)
InChIKeyYTYXJUYAXASXSB-UHFFFAOYSA-N
XLogP2.71
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[4-(5-Ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278485
1-[3-Methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278484
1-[3-Methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278487
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 1872802
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
5-(3-Methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-1,2-dihydro-1,6-naphthyridine
CID 135418404
Enterovirus 71 Inhibitor NLD-22
CID 146018673
1-(2-Amino-4-pyridinyl)-3-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155520438
1-(2-Amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
CID 155527644
1-(2-Amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one
CID 155529831
1-(2-Amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155562012
1-(2-Amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
CID 155563861

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide (CID 866891) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide is COc1ccc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is YTYXJUYAXASXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-14-6-4-12(5-7-14)17-20-16(24-21-17)9-8-15(22)19-13-3-2-10-18-11-13/h2-7,10-11H,8-9H2,1H3,(H,19,22).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 324.34 g/mol, XLogP of 2.71, 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-pyridin-3-ylpropanamide is sourced from PubChem (CID 866891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).