2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine

C14H19N3O — CID 79890523

IUPAC2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
SMILESCC1CCC(C)N(c2nc3cc(N)ccc3o2)C1
InChIInChI=1S/C14H19N3O/c1-9-3-4-10(2)17(8-9)14-16-12-7-11(15)5-6-13(12)18-14/h5-7,9-10H,3-4,8,15H2,1-2H3
InChIKeyVZRHEBWSUGDLJD-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.03
Rot. Bonds1

About 2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine

2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine (PubChem CID 79890523) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
PubChem CID79890523
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
SMILESCC1CCC(C)N(c2nc3cc(N)ccc3o2)C1
InChIInChI=1S/C14H19N3O/c1-9-3-4-10(2)17(8-9)14-16-12-7-11(15)5-6-13(12)18-14/h5-7,9-10H,3-4,8,15H2,1-2H3
InChIKeyVZRHEBWSUGDLJD-UHFFFAOYSA-N
XLogP3.03
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine (CID 79890523) is 2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine is CC1CCC(C)N(c2nc3cc(N)ccc3o2)C1.
What is the InChIKey of 2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
The InChIKey is VZRHEBWSUGDLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-3-4-10(2)17(8-9)14-16-12-7-11(15)5-6-13(12)18-14/h5-7,9-10H,3-4,8,15H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79890523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).