6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole

C16H22N2O — CID 81046290

IUPAC6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
SMILESCc1ccc2nc(CC(C)C3CCCNC3)oc2c1
InChIInChI=1S/C16H22N2O/c1-11-5-6-14-15(8-11)19-16(18-14)9-12(2)13-4-3-7-17-10-13/h5-6,8,12-13,17H,3-4,7,9-10H2,1-2H3
InChIKeyPALBEMLCHUUGPD-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.31
Rot. Bonds3

About 6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole

6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole (PubChem CID 81046290) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
PubChem CID81046290
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
SMILESCc1ccc2nc(CC(C)C3CCCNC3)oc2c1
InChIInChI=1S/C16H22N2O/c1-11-5-6-14-15(8-11)19-16(18-14)9-12(2)13-4-3-7-17-10-13/h5-6,8,12-13,17H,3-4,7,9-10H2,1-2H3
InChIKeyPALBEMLCHUUGPD-UHFFFAOYSA-N
XLogP3.31
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-(2-piperidin-3-ylpropyl)-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

2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
6-methyl-2-[(3S)-piperidin-3-yl]-1,3-benzoxazole
CID 51673597
6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 155136389
6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
CID 83859342
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine
CID 60837123
N-[2-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 142710124
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048775
3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81047095
2,5-dimethyl-1-piperidin-3-ylbenzimidazole
CID 84793055
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole (CID 81046290) is 6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole is Cc1ccc2nc(CC(C)C3CCCNC3)oc2c1.
What is the InChIKey of 6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole?
The InChIKey is PALBEMLCHUUGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-5-6-14-15(8-11)19-16(18-14)9-12(2)13-4-3-7-17-10-13/h5-6,8,12-13,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole?
6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole has a molecular weight of 258.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 81046290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).