2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline

C16H15N3O2 — CID 61026773

IUPAC2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
SMILESCc1ccc(-c2nc(COc3ccccc3N)no2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-6-8-12(9-7-11)16-18-15(19-21-16)10-20-14-5-3-2-4-13(14)17/h2-9H,10,17H2,1H3
InChIKeyQUKFJYMCVOMNDW-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.21
Rot. Bonds4

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

2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline (PubChem CID 61026773) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline.

Molecular Properties

Compound Name2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
PubChem CID61026773
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
SMILESCc1ccc(-c2nc(COc3ccccc3N)no2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-6-8-12(9-7-11)16-18-15(19-21-16)10-20-14-5-3-2-4-13(14)17/h2-9H,10,17H2,1H3
InChIKeyQUKFJYMCVOMNDW-UHFFFAOYSA-N
XLogP3.21
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.21
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

2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 46531300
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029327
3-[(2,4-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878790
5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692396
2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 31438227
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole
CID 42692406
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 36506760
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
3-[(3,5-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878775
2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852045
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline?
The IUPAC name of 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline (CID 61026773) is 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline.
What is the SMILES notation for 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline?
The canonical SMILES for 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline is Cc1ccc(-c2nc(COc3ccccc3N)no2)cc1.
What is the InChIKey of 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline?
The InChIKey is QUKFJYMCVOMNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-6-8-12(9-7-11)16-18-15(19-21-16)10-20-14-5-3-2-4-13(14)17/h2-9H,10,17H2,1H3.
What are the key properties of 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline?
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline has a molecular weight of 281.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline is sourced from PubChem (CID 61026773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).