4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole

C13H16N2O2 — CID 84695601

IUPAC4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole
SMILESCc1cccc2onc(OC3CCCNC3)c12
InChIInChI=1S/C13H16N2O2/c1-9-4-2-6-11-12(9)13(15-17-11)16-10-5-3-7-14-8-10/h2,4,6,10,14H,3,5,7-8H2,1H3
InChIKeyFQHZRQDVUPXOOT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.27
Rot. Bonds2

About 4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole

4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole (PubChem CID 84695601) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole.

Molecular Properties

Compound Name4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole
PubChem CID84695601
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole
SMILESCc1cccc2onc(OC3CCCNC3)c12
InChIInChI=1S/C13H16N2O2/c1-9-4-2-6-11-12(9)13(15-17-11)16-10-5-3-7-14-8-10/h2,4,6,10,14H,3,5,7-8H2,1H3
InChIKeyFQHZRQDVUPXOOT-UHFFFAOYSA-N
XLogP2.27
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole?
The IUPAC name of 4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole (CID 84695601) is 4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole.
What is the SMILES notation for 4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole?
The canonical SMILES for 4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole is Cc1cccc2onc(OC3CCCNC3)c12.
What is the InChIKey of 4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole?
The InChIKey is FQHZRQDVUPXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-4-2-6-11-12(9)13(15-17-11)16-10-5-3-7-14-8-10/h2,4,6,10,14H,3,5,7-8H2,1H3.
What are the key properties of 4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole?
4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole has a molecular weight of 232.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole is sourced from PubChem (CID 84695601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).