4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline

C15H14N4O2 — CID 63770811

IUPAC4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCc1cccc(-c2noc(COc3ccc(N)cc3)n2)n1
InChIInChI=1S/C15H14N4O2/c1-10-3-2-4-13(17-10)15-18-14(21-19-15)9-20-12-7-5-11(16)6-8-12/h2-8H,9,16H2,1H3
InChIKeyHZPXUTUHPCVHPD-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.60
Rot. Bonds4

About 4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline

4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (PubChem CID 63770811) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
PubChem CID63770811
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCc1cccc(-c2noc(COc3ccc(N)cc3)n2)n1
InChIInChI=1S/C15H14N4O2/c1-10-3-2-4-13(17-10)15-18-14(21-19-15)9-20-12-7-5-11(16)6-8-12/h2-8H,9,16H2,1H3
InChIKeyHZPXUTUHPCVHPD-UHFFFAOYSA-N
XLogP2.60
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 61036474
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029378
4-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 115345427
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790240
2-methyl-N-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 63555395
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931052
5-[(4-ethylphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8895405
5-[(4-bromophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7894242
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 50988182

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The IUPAC name of 4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (CID 63770811) is 4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.
What is the SMILES notation for 4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The canonical SMILES for 4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is Cc1cccc(-c2noc(COc3ccc(N)cc3)n2)n1.
What is the InChIKey of 4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The InChIKey is HZPXUTUHPCVHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-3-2-4-13(17-10)15-18-14(21-19-15)9-20-12-7-5-11(16)6-8-12/h2-8H,9,16H2,1H3.
What are the key properties of 4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline has a molecular weight of 282.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is sourced from PubChem (CID 63770811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).