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

C21H17FN4O2 — CID 11153081

IUPAC3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc(-c3cc(F)ccc3OC)cc2)n1
InChIInChI=1S/C21H17FN4O2/c1-23-19-16(4-3-11-24-19)20-25-21(28-26-20)14-7-5-13(6-8-14)17-12-15(22)9-10-18(17)27-2/h3-12H,1-2H3,(H,23,24)
InChIKeyGEGFAGJPGMYBHK-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.66
Rot. Bonds5

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

3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (PubChem CID 11153081) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
PubChem CID11153081
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc(-c3cc(F)ccc3OC)cc2)n1
InChIInChI=1S/C21H17FN4O2/c1-23-19-16(4-3-11-24-19)20-25-21(28-26-20)14-7-5-13(6-8-14)17-12-15(22)9-10-18(17)27-2/h3-12H,1-2H3,(H,23,24)
InChIKeyGEGFAGJPGMYBHK-UHFFFAOYSA-N
XLogP4.66
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 1872802
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
N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}isonicotinamide
CID 1292479
N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3244925
N-benzyl-1-(2-methoxybenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 2983598
3-[1-(3-Amino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methoxy-phenyl)-pyrrole-2,5-dione
CID 10248940
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine
CID 11697378
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzamide
CID 53312149
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 53312321
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 59129016

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (CID 11153081) is 3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is CNc1ncccc1-c1noc(-c2ccc(-c3cc(F)ccc3OC)cc2)n1.
What is the InChIKey of 3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The InChIKey is GEGFAGJPGMYBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-23-19-16(4-3-11-24-19)20-25-21(28-26-20)14-7-5-13(6-8-14)17-12-15(22)9-10-18(17)27-2/h3-12H,1-2H3,(H,23,24).
What are the key properties of 3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine has a molecular weight of 376.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(5-fluoro-2-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 11153081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).