3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline

C15H14N4O — CID 114876623

IUPAC3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccncc1-c1noc(-c2c(C)cccc2N)n1
InChIInChI=1S/C15H14N4O/c1-9-6-7-17-8-11(9)14-18-15(20-19-14)13-10(2)4-3-5-12(13)16/h3-8H,16H2,1-2H3
InChIKeyXLIWDWMXYJNVFK-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.00
Rot. Bonds2

About 3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline

3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 114876623) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID114876623
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccncc1-c1noc(-c2c(C)cccc2N)n1
InChIInChI=1S/C15H14N4O/c1-9-6-7-17-8-11(9)14-18-15(20-19-14)13-10(2)4-3-5-12(13)16/h3-8H,16H2,1-2H3
InChIKeyXLIWDWMXYJNVFK-UHFFFAOYSA-N
XLogP3.00
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (CID 114876623) is 3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is Cc1ccncc1-c1noc(-c2c(C)cccc2N)n1.
What is the InChIKey of 3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is XLIWDWMXYJNVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-6-7-17-8-11(9)14-18-15(20-19-14)13-10(2)4-3-5-12(13)16/h3-8H,16H2,1-2H3.
What are the key properties of 3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 266.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 114876623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).