3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole

C21H18N4O — CID 4218564

IUPAC3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)cc2)nc1
InChIInChI=1S/C21H18N4O/c1-2-3-15-4-9-19(23-14-15)16-5-7-17(8-6-16)20-24-21(26-25-20)18-10-12-22-13-11-18/h4-14H,2-3H2,1H3
InChIKeyNUDNBRAOFIVLSW-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.81
Rot. Bonds5

About 3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole

3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 4218564) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID4218564
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)cc2)nc1
InChIInChI=1S/C21H18N4O/c1-2-3-15-4-9-19(23-14-15)16-5-7-17(8-6-16)20-24-21(26-25-20)18-10-12-22-13-11-18/h4-14H,2-3H2,1H3
InChIKeyNUDNBRAOFIVLSW-UHFFFAOYSA-N
XLogP4.81
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole
CID 158045974
2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99963071
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621534
3-(4-bromophenyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 2056306
[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine
CID 81098785
5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 35216489
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597
5-decyl-2-[4-(5-heptyl-2-pyridinyl)phenyl]pyrimidine
CID 139621535

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole (CID 4218564) is 3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole is CCCc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)cc2)nc1.
What is the InChIKey of 3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is NUDNBRAOFIVLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-3-15-4-9-19(23-14-15)16-5-7-17(8-6-16)20-24-21(26-25-20)18-10-12-22-13-11-18/h4-14H,2-3H2,1H3.
What are the key properties of 3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 342.40 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 4218564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).