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

C15H14N4O — CID 62551887

IUPACphenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNC(c1ccccc1)c1nc(Cc2ccncc2)no1
InChIInChI=1S/C15H14N4O/c16-14(12-4-2-1-3-5-12)15-18-13(19-20-15)10-11-6-8-17-9-7-11/h1-9,14H,10,16H2
InChIKeyGSEKUIWPBKDXSZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.10
Rot. Bonds4

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

phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 62551887) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namephenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID62551887
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Namephenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNC(c1ccccc1)c1nc(Cc2ccncc2)no1
InChIInChI=1S/C15H14N4O/c16-14(12-4-2-1-3-5-12)15-18-13(19-20-15)10-11-6-8-17-9-7-11/h1-9,14H,10,16H2
InChIKeyGSEKUIWPBKDXSZ-UHFFFAOYSA-N
XLogP2.10
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 104898633
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835
1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62551888
(S)-phenyl-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 28538355
(R)-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898615
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
(S)-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898638
(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)pentane-1,5-diamine
CID 162529572
(R)-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898781
phenyl-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65129508
2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62884718
phenyl-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 103472421

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 62551887) is phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is NC(c1ccccc1)c1nc(Cc2ccncc2)no1.
What is the InChIKey of phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is GSEKUIWPBKDXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-14(12-4-2-1-3-5-12)15-18-13(19-20-15)10-11-6-8-17-9-7-11/h1-9,14H,10,16H2.
What are the key properties of phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 266.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 62551887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).