3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine

C22H20N4O — CID 23613832

IUPAC3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
SMILESCc1ccc(-c2noc(-c3cccnc3NCCc3ccccc3)n2)cc1
InChIInChI=1S/C22H20N4O/c1-16-9-11-18(12-10-16)20-25-22(27-26-20)19-8-5-14-23-21(19)24-15-13-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3,(H,23,24)
InChIKeyHJGFFUYDLMZEJF-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.76
Rot. Bonds6

About 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 23613832) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
PubChem CID23613832
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
SMILESCc1ccc(-c2noc(-c3cccnc3NCCc3ccccc3)n2)cc1
InChIInChI=1S/C22H20N4O/c1-16-9-11-18(12-10-16)20-25-22(27-26-20)19-8-5-14-23-21(19)24-15-13-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3,(H,23,24)
InChIKeyHJGFFUYDLMZEJF-UHFFFAOYSA-N
XLogP4.76
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 23613814
N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 46265224
6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridazin-3-amine
CID 53021985
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 155941527
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)pyrimidin-4-amine
CID 91892570
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine
CID 46265210
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 46265169
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 133317350
2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetic acid
CID 97032554
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
3-(4-methylphenyl)-5-(2-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 46265181

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine?
The IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine (CID 23613832) is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine?
The canonical SMILES for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine is Cc1ccc(-c2noc(-c3cccnc3NCCc3ccccc3)n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is HJGFFUYDLMZEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-9-11-18(12-10-16)20-25-22(27-26-20)19-8-5-14-23-21(19)24-15-13-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3,(H,23,24).
What are the key properties of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine?
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 23613832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).