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

C17H16N4O3 — CID 665626

IUPAC3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
SMILESCOc1cccc(-c2noc(CCC(=O)Nc3cccnc3)n2)c1
InChIInChI=1S/C17H16N4O3/c1-23-14-6-2-4-12(10-14)17-20-16(24-21-17)8-7-15(22)19-13-5-3-9-18-11-13/h2-6,9-11H,7-8H2,1H3,(H,19,22)
InChIKeyBYOJTBSQSQIHQC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.71
Rot. Bonds6

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

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide (PubChem CID 665626) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
PubChem CID665626
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
SMILESCOc1cccc(-c2noc(CCC(=O)Nc3cccnc3)n2)c1
InChIInChI=1S/C17H16N4O3/c1-23-14-6-2-4-12(10-14)17-20-16(24-21-17)8-7-15(22)19-13-5-3-9-18-11-13/h2-6,9-11H,7-8H2,1H3,(H,19,22)
InChIKeyBYOJTBSQSQIHQC-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

5-(3-Methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-1,2-dihydro-1,6-naphthyridine
CID 135418404
2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 1872802
3-(Pyridin-2-yl)-5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 9948499
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
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789859
4-[5-[(4-Methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridine
CID 806077
4-[5-(2-Methoxybenzyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 848354
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
CID 866891
N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}isonicotinamide
CID 1292479

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide (CID 665626) is 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide is COc1cccc(-c2noc(CCC(=O)Nc3cccnc3)n2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is BYOJTBSQSQIHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-14-6-2-4-12(10-14)17-20-16(24-21-17)8-7-15(22)19-13-5-3-9-18-11-13/h2-6,9-11H,7-8H2,1H3,(H,19,22).
What are the key properties of 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
3-[3-(3-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-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 665626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).