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

C10H11N3O2 — CID 39240881

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline
SMILESCc1nnc(COc2cccc(N)c2)o1
InChIInChI=1S/C10H11N3O2/c1-7-12-13-10(15-7)6-14-9-4-2-3-8(11)5-9/h2-5H,6,11H2,1H3
InChIKeyVOYJUHZDLWPACO-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.54
Rot. Bonds3

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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline (PubChem CID 39240881) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline
PubChem CID39240881
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline
SMILESCc1nnc(COc2cccc(N)c2)o1
InChIInChI=1S/C10H11N3O2/c1-7-12-13-10(15-7)6-14-9-4-2-3-8(11)5-9/h2-5H,6,11H2,1H3
InChIKeyVOYJUHZDLWPACO-UHFFFAOYSA-N
XLogP1.54
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline (CID 39240881) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline is Cc1nnc(COc2cccc(N)c2)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline?
The InChIKey is VOYJUHZDLWPACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-12-13-10(15-7)6-14-9-4-2-3-8(11)5-9/h2-5H,6,11H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline has a molecular weight of 205.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]aniline is sourced from PubChem (CID 39240881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).