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

C12H15N3O — CID 73292152

IUPAC5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1cccc(-c2nnc(N)o2)c1
InChIInChI=1S/C12H15N3O/c1-12(2,3)9-6-4-5-8(7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15)
InChIKeyCJWJHJVFYKXXBF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.62
Rot. Bonds1

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

5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 73292152) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID73292152
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1cccc(-c2nnc(N)o2)c1
InChIInChI=1S/C12H15N3O/c1-12(2,3)9-6-4-5-8(7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15)
InChIKeyCJWJHJVFYKXXBF-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine (CID 73292152) is 5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine is CC(C)(C)c1cccc(-c2nnc(N)o2)c1.
What is the InChIKey of 5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CJWJHJVFYKXXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)9-6-4-5-8(7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15).
What are the key properties of 5-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine?
5-(3-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-(3-tert-butylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 73292152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).