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

C10H11N3O — CID 61290620

IUPAC4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2cc(N)ccc2C)o1
InChIInChI=1S/C10H11N3O/c1-6-3-4-8(11)5-9(6)10-13-12-7(2)14-10/h3-5H,11H2,1-2H3
InChIKeyIHCSSIPTIVKDJC-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.94
Rot. Bonds1

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

4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 61290620) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID61290620
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2cc(N)ccc2C)o1
InChIInChI=1S/C10H11N3O/c1-6-3-4-8(11)5-9(6)10-13-12-7(2)14-10/h3-5H,11H2,1-2H3
InChIKeyIHCSSIPTIVKDJC-UHFFFAOYSA-N
XLogP1.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (CID 61290620) is 4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is Cc1nnc(-c2cc(N)ccc2C)o1.
What is the InChIKey of 4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is IHCSSIPTIVKDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-3-4-8(11)5-9(6)10-13-12-7(2)14-10/h3-5H,11H2,1-2H3.
What are the key properties of 4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 61290620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).