5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole

C18H19N3O2 — CID 126775001

IUPAC5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccccc1CC(C)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C18H19N3O2/c1-13(11-14-7-3-4-9-16(14)22-2)12-17-20-18(21-23-17)15-8-5-6-10-19-15/h3-10,13H,11-12H2,1-2H3
InChIKeyZDPJXVWJWWMEAH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.56
Rot. Bonds6

About 5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 126775001) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID126775001
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccccc1CC(C)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C18H19N3O2/c1-13(11-14-7-3-4-9-16(14)22-2)12-17-20-18(21-23-17)15-8-5-6-10-19-15/h3-10,13H,11-12H2,1-2H3
InChIKeyZDPJXVWJWWMEAH-UHFFFAOYSA-N
XLogP3.56
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46431119
N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581632
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 20967064
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
N-[1-(2-methoxyphenyl)propyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46432396
1-cyclopropyl-N-methyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347146
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine
CID 66235085
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 126775001) is 5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole is COc1ccccc1CC(C)Cc1nc(-c2ccccn2)no1.
What is the InChIKey of 5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is ZDPJXVWJWWMEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(11-14-7-3-4-9-16(14)22-2)12-17-20-18(21-23-17)15-8-5-6-10-19-15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 309.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 126775001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).