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

C16H15N3O2 — CID 61261410

IUPAC2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1ccccc1Cc1noc(-c2ccccc2N)n1
InChIInChI=1S/C16H15N3O2/c1-20-14-9-5-2-6-11(14)10-15-18-16(21-19-15)12-7-3-4-8-13(12)17/h2-9H,10,17H2,1H3
InChIKeyGKQUJYFESMWGDR-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.92
Rot. Bonds4

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

2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 61261410) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
PubChem CID61261410
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1ccccc1Cc1noc(-c2ccccc2N)n1
InChIInChI=1S/C16H15N3O2/c1-20-14-9-5-2-6-11(14)10-15-18-16(21-19-15)12-7-3-4-8-13(12)17/h2-9H,10,17H2,1H3
InChIKeyGKQUJYFESMWGDR-UHFFFAOYSA-N
XLogP2.92
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline (CID 61261410) is 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline is COc1ccccc1Cc1noc(-c2ccccc2N)n1.
What is the InChIKey of 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is GKQUJYFESMWGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-14-9-5-2-6-11(14)10-15-18-16(21-19-15)12-7-3-4-8-13(12)17/h2-9H,10,17H2,1H3.
What are the key properties of 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline?
2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 281.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 61261410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).