2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline

C14H12N4O2 — CID 63744294

IUPAC2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCOc1ccc(-c2nc(-c3ccncc3)no2)cc1N
InChIInChI=1S/C14H12N4O2/c1-19-12-3-2-10(8-11(12)15)14-17-13(18-20-14)9-4-6-16-7-5-9/h2-8H,15H2,1H3
InChIKeyDUOYSGVVAVMPMJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.39
Rot. Bonds3

About 2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline

2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 63744294) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID63744294
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCOc1ccc(-c2nc(-c3ccncc3)no2)cc1N
InChIInChI=1S/C14H12N4O2/c1-19-12-3-2-10(8-11(12)15)14-17-13(18-20-14)9-4-6-16-7-5-9/h2-8H,15H2,1H3
InChIKeyDUOYSGVVAVMPMJ-UHFFFAOYSA-N
XLogP2.39
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28539900
5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 100559933
5-(4,5-dimethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 71142014
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
3-(2-methoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527966
2-methoxy-5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63743445
2-methoxy-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63744295
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
5-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methoxyaniline
CID 116703236
5-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-methoxyaniline
CID 100559808

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline (CID 63744294) is 2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline is COc1ccc(-c2nc(-c3ccncc3)no2)cc1N.
What is the InChIKey of 2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is DUOYSGVVAVMPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-19-12-3-2-10(8-11(12)15)14-17-13(18-20-14)9-4-6-16-7-5-9/h2-8H,15H2,1H3.
What are the key properties of 2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 268.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 63744294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).