3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline

C16H15N3O2 — CID 81094692

IUPAC3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCOc1cc(N)cc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H15N3O2/c1-2-20-14-9-12(8-13(17)10-14)16-19-18-15(21-16)11-6-4-3-5-7-11/h3-10H,2,17H2,1H3
InChIKeyMYNNIDWYQDXLKR-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.38
Rot. Bonds4

About 3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline

3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 81094692) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID81094692
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCCOc1cc(N)cc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H15N3O2/c1-2-20-14-9-12(8-13(17)10-14)16-19-18-15(21-16)11-6-4-3-5-7-11/h3-10H,2,17H2,1H3
InChIKeyMYNNIDWYQDXLKR-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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 3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (CID 81094692) is 3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is CCOc1cc(N)cc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is MYNNIDWYQDXLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-20-14-9-12(8-13(17)10-14)16-19-18-15(21-16)11-6-4-3-5-7-11/h3-10H,2,17H2,1H3.
What are the key properties of 3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 281.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 81094692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).