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

C10H11N3O — CID 29293150

IUPAC2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccc(C)c(N)c2)n1
InChIInChI=1S/C10H11N3O/c1-6-3-4-8(5-9(6)11)10-12-7(2)13-14-10/h3-5H,11H2,1-2H3
InChIKeyBITFOTATQDBPRQ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.94
Rot. Bonds1

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

2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 29293150) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID29293150
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccc(C)c(N)c2)n1
InChIInChI=1S/C10H11N3O/c1-6-3-4-8(5-9(6)11)10-12-7(2)13-14-10/h3-5H,11H2,1-2H3
InChIKeyBITFOTATQDBPRQ-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 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 29293150) is 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is Cc1noc(-c2ccc(C)c(N)c2)n1.
What is the InChIKey of 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is BITFOTATQDBPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-3-4-8(5-9(6)11)10-12-7(2)13-14-10/h3-5H,11H2,1-2H3.
What are the key properties of 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-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 2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 29293150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).