4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline

C15H15N3O2 — CID 22060980

IUPAC4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline
SMILESNc1ccc(OCC2=CN(c3ccccc3)NO2)cc1
InChIInChI=1S/C15H15N3O2/c16-12-6-8-14(9-7-12)19-11-15-10-18(17-20-15)13-4-2-1-3-5-13/h1-10,17H,11,16H2
InChIKeyLVMYZFZWDNYSCC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.45
Rot. Bonds4

About 4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline

4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline (PubChem CID 22060980) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline
PubChem CID22060980
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline
SMILESNc1ccc(OCC2=CN(c3ccccc3)NO2)cc1
InChIInChI=1S/C15H15N3O2/c16-12-6-8-14(9-7-12)19-11-15-10-18(17-20-15)13-4-2-1-3-5-13/h1-10,17H,11,16H2
InChIKeyLVMYZFZWDNYSCC-UHFFFAOYSA-N
XLogP2.45
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline?
The IUPAC name of 4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline (CID 22060980) is 4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline.
What is the SMILES notation for 4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline?
The canonical SMILES for 4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline is Nc1ccc(OCC2=CN(c3ccccc3)NO2)cc1.
What is the InChIKey of 4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline?
The InChIKey is LVMYZFZWDNYSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-12-6-8-14(9-7-12)19-11-15-10-18(17-20-15)13-4-2-1-3-5-13/h1-10,17H,11,16H2.
What are the key properties of 4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline?
4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline has a molecular weight of 269.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenyl-2H-oxadiazol-5-yl)methoxy]aniline is sourced from PubChem (CID 22060980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).