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

C15H20N2O — CID 79601759

IUPAC7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
SMILESCc1cccc2nc(CCC3CCNCC3)oc12
InChIInChI=1S/C15H20N2O/c1-11-3-2-4-13-15(11)18-14(17-13)6-5-12-7-9-16-10-8-12/h2-4,12,16H,5-10H2,1H3
InChIKeySOJINKAMVYSARK-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.07
Rot. Bonds3

About 7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole

7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole (PubChem CID 79601759) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
PubChem CID79601759
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
SMILESCc1cccc2nc(CCC3CCNCC3)oc12
InChIInChI=1S/C15H20N2O/c1-11-3-2-4-13-15(11)18-14(17-13)6-5-12-7-9-16-10-8-12/h2-4,12,16H,5-10H2,1H3
InChIKeySOJINKAMVYSARK-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 7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
The IUPAC name of 7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole (CID 79601759) is 7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole.
What is the SMILES notation for 7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
The canonical SMILES for 7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole is Cc1cccc2nc(CCC3CCNCC3)oc12.
What is the InChIKey of 7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
The InChIKey is SOJINKAMVYSARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-3-2-4-13-15(11)18-14(17-13)6-5-12-7-9-16-10-8-12/h2-4,12,16H,5-10H2,1H3.
What are the key properties of 7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
7-methyl-2-(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 7-methyl-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole is sourced from PubChem (CID 79601759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).