4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol

C15H19N3O3 — CID 137011204

IUPAC4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol
SMILESCc1cc(-c2noc(C3(N)CCOCC3)n2)cc(C)c1O
InChIInChI=1S/C15H19N3O3/c1-9-7-11(8-10(2)12(9)19)13-17-14(21-18-13)15(16)3-5-20-6-4-15/h7-8,19H,3-6,16H2,1-2H3
InChIKeyCZNLHDYNKDONFX-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.02
Rot. Bonds2

About 4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol

4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol (PubChem CID 137011204) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol
PubChem CID137011204
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol
SMILESCc1cc(-c2noc(C3(N)CCOCC3)n2)cc(C)c1O
InChIInChI=1S/C15H19N3O3/c1-9-7-11(8-10(2)12(9)19)13-17-14(21-18-13)15(16)3-5-20-6-4-15/h7-8,19H,3-6,16H2,1-2H3
InChIKeyCZNLHDYNKDONFX-UHFFFAOYSA-N
XLogP2.02
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol (CID 137011204) is 4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol is Cc1cc(-c2noc(C3(N)CCOCC3)n2)cc(C)c1O.
What is the InChIKey of 4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol?
The InChIKey is CZNLHDYNKDONFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-7-11(8-10(2)12(9)19)13-17-14(21-18-13)15(16)3-5-20-6-4-15/h7-8,19H,3-6,16H2,1-2H3.
What are the key properties of 4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol?
4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol has a molecular weight of 289.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol is sourced from PubChem (CID 137011204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).