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

C9H9N3O — CID 62471073

IUPAC3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1cccc(-c2noc(N)n2)c1
InChIInChI=1S/C9H9N3O/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h2-5H,1H3,(H2,10,11,12)
InChIKeyZNLNSXUTISVCFC-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.63
Rot. Bonds1

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

3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62471073) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID62471073
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1cccc(-c2noc(N)n2)c1
InChIInChI=1S/C9H9N3O/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h2-5H,1H3,(H2,10,11,12)
InChIKeyZNLNSXUTISVCFC-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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Related Compounds

3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072848
3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 62387381
N-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347445
3-(3-methylphenyl)-5-[(3-methyl-1,2,4-triazol-4-yl)methyl]-1,2,4-oxadiazole
CID 110167726
N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
3-amino-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114006924
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845156
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 62471073) is 3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine is Cc1cccc(-c2noc(N)n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is ZNLNSXUTISVCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h2-5H,1H3,(H2,10,11,12).
What are the key properties of 3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine?
3-(3-methylphenyl)-1,2,4-oxadiazol-5-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 3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62471073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).