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

C15H14N4O — CID 63841342

IUPAC3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccnc(-c2noc(-c3ccc(N)cc3C)n2)c1
InChIInChI=1S/C15H14N4O/c1-9-5-6-17-13(7-9)14-18-15(20-19-14)12-4-3-11(16)8-10(12)2/h3-8H,16H2,1-2H3
InChIKeyXIDCYAKMKJREKC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.00
Rot. Bonds2

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

3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 63841342) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID63841342
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccnc(-c2noc(-c3ccc(N)cc3C)n2)c1
InChIInChI=1S/C15H14N4O/c1-9-5-6-17-13(7-9)14-18-15(20-19-14)12-4-3-11(16)8-10(12)2/h3-8H,16H2,1-2H3
InChIKeyXIDCYAKMKJREKC-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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Related Compounds

3-chloro-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63840346
1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 63840780
5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine
CID 65418129
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 55257340
N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841053
3-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196138
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632
2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63839551
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63839712
4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795573
[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66380528
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991739

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (CID 63841342) is 3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is Cc1ccnc(-c2noc(-c3ccc(N)cc3C)n2)c1.
What is the InChIKey of 3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is XIDCYAKMKJREKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-5-6-17-13(7-9)14-18-15(20-19-14)12-4-3-11(16)8-10(12)2/h3-8H,16H2,1-2H3.
What are the key properties of 3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
3-methyl-4-[3-(4-methyl-2-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-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 63841342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).