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

C14H12N4O — CID 62340328

IUPAC2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCc1cccnc1-c1nc(-c2ccccc2N)no1
InChIInChI=1S/C14H12N4O/c1-9-5-4-8-16-12(9)14-17-13(18-19-14)10-6-2-3-7-11(10)15/h2-8H,15H2,1H3
InChIKeyQIIRCNDNWQECMK-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.69
Rot. Bonds2

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

2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 62340328) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID62340328
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCc1cccnc1-c1nc(-c2ccccc2N)no1
InChIInChI=1S/C14H12N4O/c1-9-5-4-8-16-12(9)14-17-13(18-19-14)10-6-2-3-7-11(10)15/h2-8H,15H2,1H3
InChIKeyQIIRCNDNWQECMK-UHFFFAOYSA-N
XLogP2.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.69
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

Azd6538
CID 9879103
2-[5-(3-Chlorophenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 650707
VU0285683
CID 9816778
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
5-(3-Nitrophenyl)-3-(2-pyridyl)-1,2,4-oxadiazole
CID 867096
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
3-(Pyridin-2-yl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 3156022
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
3-(Pyridin-2-yl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole
CID 9881610
3-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10198810
2-(5-Biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 838877

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline (CID 62340328) is 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline is Cc1cccnc1-c1nc(-c2ccccc2N)no1.
What is the InChIKey of 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is QIIRCNDNWQECMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-5-4-8-16-12(9)14-17-13(18-19-14)10-6-2-3-7-11(10)15/h2-8H,15H2,1H3.
What are the key properties of 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline?
2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 252.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 62340328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).