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

C14H18N2O — CID 83859316

IUPAC6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
SMILESCc1ccc2nc(CC3CCCCN3)oc2c1
InChIInChI=1S/C14H18N2O/c1-10-5-6-12-13(8-10)17-14(16-12)9-11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyWJSWUOMGEPOWNS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.82
Rot. Bonds2

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

6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole (PubChem CID 83859316) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
PubChem CID83859316
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
SMILESCc1ccc2nc(CC3CCCCN3)oc2c1
InChIInChI=1S/C14H18N2O/c1-10-5-6-12-13(8-10)17-14(16-12)9-11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyWJSWUOMGEPOWNS-UHFFFAOYSA-N
XLogP2.82
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
CID 83859342
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
4-ethyl-5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 105462178
2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046290

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole (CID 83859316) is 6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole is Cc1ccc2nc(CC3CCCCN3)oc2c1.
What is the InChIKey of 6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The InChIKey is WJSWUOMGEPOWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-6-12-13(8-10)17-14(16-12)9-11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7,9H2,1H3.
What are the key properties of 6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole?
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole has a molecular weight of 230.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 83859316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).