3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine

C20H15FN4O — CID 11152175

IUPAC3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc(-c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H15FN4O/c1-22-18-17(3-2-12-23-18)19-24-20(26-25-19)15-6-4-13(5-7-15)14-8-10-16(21)11-9-14/h2-12H,1H3,(H,22,23)
InChIKeyDHXTWKATBJMKBJ-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.65
Rot. Bonds4

About 3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine

3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (PubChem CID 11152175) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
PubChem CID11152175
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc(-c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H15FN4O/c1-22-18-17(3-2-12-23-18)19-24-20(26-25-19)15-6-4-13(5-7-15)14-8-10-16(21)11-9-14/h2-12H,1H3,(H,22,23)
InChIKeyDHXTWKATBJMKBJ-UHFFFAOYSA-N
XLogP4.65
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Naphthalen-1-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 757874
NS9283
CID 11998180
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
3-(Pyridin-2-yl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole
CID 9881610
2-(5-Biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 838877
4-[5-(4-Tert-butylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 867088
5-Naphthalen-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 926663
N-[4-chloro-2-[[(1R)-1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide
CID 11363856
5-(3,4-Dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 888298

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (CID 11152175) is 3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is CNc1ncccc1-c1noc(-c2ccc(-c3ccc(F)cc3)cc2)n1.
What is the InChIKey of 3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The InChIKey is DHXTWKATBJMKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-22-18-17(3-2-12-23-18)19-24-20(26-25-19)15-6-4-13(5-7-15)14-8-10-16(21)11-9-14/h2-12H,1H3,(H,22,23).
What are the key properties of 3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine has a molecular weight of 346.37 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(4-fluorophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 11152175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).