6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole

C17H24N2O — CID 155136389

IUPAC6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
SMILESCC(C)Cc1ccc2nc(CC3CCCNC3)oc2c1
InChIInChI=1S/C17H24N2O/c1-12(2)8-13-5-6-15-16(9-13)20-17(19-15)10-14-4-3-7-18-11-14/h5-6,9,12,14,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyFKHPUHVAWIYBGB-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.57
Rot. Bonds4

About 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole

6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole (PubChem CID 155136389) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
PubChem CID155136389
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
SMILESCC(C)Cc1ccc2nc(CC3CCCNC3)oc2c1
InChIInChI=1S/C17H24N2O/c1-12(2)8-13-5-6-15-16(9-13)20-17(19-15)10-14-4-3-7-18-11-14/h5-6,9,12,14,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyFKHPUHVAWIYBGB-UHFFFAOYSA-N
XLogP3.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 55232173
2-(6-azaspiro[3.4]octan-2-ylmethyl)-6-(2-methylpropyl)-1,3-benzoxazole
CID 155136390
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046290
2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole
CID 117098302
2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 117434079
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
CID 84687878
4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine
CID 82666679
(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
CID 131093396
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole (CID 155136389) is 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole is CC(C)Cc1ccc2nc(CC3CCCNC3)oc2c1.
What is the InChIKey of 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole?
The InChIKey is FKHPUHVAWIYBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)8-13-5-6-15-16(9-13)20-17(19-15)10-14-4-3-7-18-11-14/h5-6,9,12,14,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole?
6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole has a molecular weight of 272.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 155136389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).