2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole

C15H20N2O — CID 116925708

IUPAC2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole
SMILESCc1nc2ccc(CCC3CCNCC3)cc2o1
InChIInChI=1S/C15H20N2O/c1-11-17-14-5-4-13(10-15(14)18-11)3-2-12-6-8-16-9-7-12/h4-5,10,12,16H,2-3,6-9H2,1H3
InChIKeyDLRMDXPJNAGHDW-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.07
Rot. Bonds3

About 2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole

2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole (PubChem CID 116925708) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole
PubChem CID116925708
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole
SMILESCc1nc2ccc(CCC3CCNCC3)cc2o1
InChIInChI=1S/C15H20N2O/c1-11-17-14-5-4-13(10-15(14)18-11)3-2-12-6-8-16-9-7-12/h4-5,10,12,16H,2-3,6-9H2,1H3
InChIKeyDLRMDXPJNAGHDW-UHFFFAOYSA-N
XLogP3.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole (CID 116925708) is 2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole is Cc1nc2ccc(CCC3CCNCC3)cc2o1.
What is the InChIKey of 2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
The InChIKey is DLRMDXPJNAGHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-17-14-5-4-13(10-15(14)18-11)3-2-12-6-8-16-9-7-12/h4-5,10,12,16H,2-3,6-9H2,1H3.
What are the key properties of 2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole has a molecular weight of 244.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole is sourced from PubChem (CID 116925708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).