5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine

C12H15N3O — CID 2737915

IUPAC5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1ccc(-c2nnc(N)o2)cc1
InChIInChI=1S/C12H15N3O/c1-12(2,3)9-6-4-8(5-7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15)
InChIKeyOISTTWCWVFSFNE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.62
Rot. Bonds1

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

5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 2737915) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID2737915
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1ccc(-c2nnc(N)o2)cc1
InChIInChI=1S/C12H15N3O/c1-12(2,3)9-6-4-8(5-7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15)
InChIKeyOISTTWCWVFSFNE-UHFFFAOYSA-N
XLogP2.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-5-p-tolyl-[1,3,4]oxadiazole
CID 259997
5-(4-Bromophenyl)-1,3,4-oxadiazol-2-amine
CID 356897
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 356899
2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
CID 70065
2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 84782
1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363
5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 121151
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
5-(3-Bromophenyl)-1,3,4-oxadiazol-2-amine
CID 3490544
Methyl phenyl-1,3,4-oxadiazole
CID 138101
N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 199264

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine (CID 2737915) is 5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)c1ccc(-c2nnc(N)o2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OISTTWCWVFSFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)9-6-4-8(5-7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15).
What are the key properties of 5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine?
5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 217.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 2737915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).