5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine

C9H9N3O — CID 15637

IUPAC5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1-c1nnc(N)o1
InChIInChI=1S/C9H9N3O/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChIKeyFOBZVVKLLZAFGN-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.63
Rot. Bonds1

About 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine

5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 15637) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID15637
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1-c1nnc(N)o1
InChIInChI=1S/C9H9N3O/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChIKeyFOBZVVKLLZAFGN-UHFFFAOYSA-N
XLogP1.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 15637) is 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1ccccc1-c1nnc(N)o1.
What is the InChIKey of 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FOBZVVKLLZAFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12).
What are the key properties of 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 175.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).