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

C20H15FN4O — CID 53037152

IUPACN-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESFc1ccc(CNc2ccc(-c3nc(-c4ccccc4)no3)cn2)cc1
InChIInChI=1S/C20H15FN4O/c21-17-9-6-14(7-10-17)12-22-18-11-8-16(13-23-18)20-24-19(25-26-20)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,23)
InChIKeyKPBQTOUVXNGEQN-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.55
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 53037152) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID53037152
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESFc1ccc(CNc2ccc(-c3nc(-c4ccccc4)no3)cn2)cc1
InChIInChI=1S/C20H15FN4O/c21-17-9-6-14(7-10-17)12-22-18-11-8-16(13-23-18)20-24-19(25-26-20)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,23)
InChIKeyKPBQTOUVXNGEQN-UHFFFAOYSA-N
XLogP4.55
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 53037257
N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 53126793
N-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 53126758
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 53037214
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 28809507
N-benzyl-5-phenylpyridin-2-amine
CID 24949412
N-[(4-fluorophenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054500
5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 70706972
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 53126788
N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
CID 53021969
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridin-2-amine
CID 53126785

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 53037152) is N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Fc1ccc(CNc2ccc(-c3nc(-c4ccccc4)no3)cn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is KPBQTOUVXNGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-17-9-6-14(7-10-17)12-22-18-11-8-16(13-23-18)20-24-19(25-26-20)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 346.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 53037152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).