phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

C14H12N4O — CID 43109480

IUPACphenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNC(c1ccccc1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H12N4O/c15-12(10-6-2-1-3-7-10)14-17-13(18-19-14)11-8-4-5-9-16-11/h1-9,12H,15H2
InChIKeyLYNDQIGNUUBYDR-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.18
Rot. Bonds3

About phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 43109480) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Namephenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID43109480
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Namephenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNC(c1ccccc1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H12N4O/c15-12(10-6-2-1-3-7-10)14-17-13(18-19-14)11-8-4-5-9-16-11/h1-9,12H,15H2
InChIKeyLYNDQIGNUUBYDR-UHFFFAOYSA-N
XLogP2.18
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 803925
2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43470366
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43099782
(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 107836639
(S)-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898777
cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 54901636
(S)-phenyl-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 28538355
(S)-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832620
4-[5-[amino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888836
(R)-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 106847418

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 43109480) is phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is NC(c1ccccc1)c1nc(-c2ccccn2)no1.
What is the InChIKey of phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is LYNDQIGNUUBYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-12(10-6-2-1-3-7-10)14-17-13(18-19-14)11-8-4-5-9-16-11/h1-9,12H,15H2.
What are the key properties of phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 252.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 43109480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).