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

C9H9N3O — CID 576525

IUPAC4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(-c2nonc2N)cc1
InChIInChI=1S/C9H9N3O/c1-6-2-4-7(5-3-6)8-9(10)12-13-11-8/h2-5H,1H3,(H2,10,12)
InChIKeyVBTZFADUAHZZJW-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.63
Rot. Bonds1

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

4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine (PubChem CID 576525) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine
PubChem CID576525
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(-c2nonc2N)cc1
InChIInChI=1S/C9H9N3O/c1-6-2-4-7(5-3-6)8-9(10)12-13-11-8/h2-5H,1H3,(H2,10,12)
InChIKeyVBTZFADUAHZZJW-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 4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine (CID 576525) is 4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine is Cc1ccc(-c2nonc2N)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine?
The InChIKey is VBTZFADUAHZZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-2-4-7(5-3-6)8-9(10)12-13-11-8/h2-5H,1H3,(H2,10,12).
What are the key properties of 4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine?
4-(4-methylphenyl)-1,2,5-oxadiazol-3-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 4-(4-methylphenyl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 576525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).