2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine

C15H21N3O — CID 114592002

IUPAC2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine
SMILESCC1CC(C)C(C)N(c2nc3c(N)cccc3o2)C1
InChIInChI=1S/C15H21N3O/c1-9-7-10(2)11(3)18(8-9)15-17-14-12(16)5-4-6-13(14)19-15/h4-6,9-11H,7-8,16H2,1-3H3
InChIKeyKCJMWFKBCKQKFY-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.28
Rot. Bonds1

About 2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine

2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine (PubChem CID 114592002) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine
PubChem CID114592002
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine
SMILESCC1CC(C)C(C)N(c2nc3c(N)cccc3o2)C1
InChIInChI=1S/C15H21N3O/c1-9-7-10(2)11(3)18(8-9)15-17-14-12(16)5-4-6-13(14)19-15/h4-6,9-11H,7-8,16H2,1-3H3
InChIKeyKCJMWFKBCKQKFY-UHFFFAOYSA-N
XLogP3.28
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-piperidin-1-yl-1,3-benzoxazol-4-amine
CID 79890379
2-(2,3,5-trimethylpiperidin-1-yl)pyridin-3-amine
CID 114591996
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79890107
2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893453
2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893265
2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine
CID 114594537
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-benzoxazol-4-amine
CID 79892960
2-N-(3-methylcyclopentyl)-1,3-benzoxazole-2,4-diamine
CID 114543175
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79893538
2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79882571
2-[(3-methylthiomorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine
CID 79994794
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine
CID 79882327

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine?
The IUPAC name of 2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine (CID 114592002) is 2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine is CC1CC(C)C(C)N(c2nc3c(N)cccc3o2)C1.
What is the InChIKey of 2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine?
The InChIKey is KCJMWFKBCKQKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9-7-10(2)11(3)18(8-9)15-17-14-12(16)5-4-6-13(14)19-15/h4-6,9-11H,7-8,16H2,1-3H3.
What are the key properties of 2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine?
2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine is sourced from PubChem (CID 114592002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).