4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole

C14H18N2O3 — CID 114764927

IUPAC4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
SMILESCOc1cccc2oc(COC3CCNCC3)nc12
InChIInChI=1S/C14H18N2O3/c1-17-11-3-2-4-12-14(11)16-13(19-12)9-18-10-5-7-15-8-6-10/h2-4,10,15H,5-9H2,1H3
InChIKeyMKLPJGWPSOIAPY-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.11
Rot. Bonds4

About 4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole

4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole (PubChem CID 114764927) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
PubChem CID114764927
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
SMILESCOc1cccc2oc(COC3CCNCC3)nc12
InChIInChI=1S/C14H18N2O3/c1-17-11-3-2-4-12-14(11)16-13(19-12)9-18-10-5-7-15-8-6-10/h2-4,10,15H,5-9H2,1H3
InChIKeyMKLPJGWPSOIAPY-UHFFFAOYSA-N
XLogP2.11
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-(piperidin-4-yloxymethyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole?
The IUPAC name of 4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole (CID 114764927) is 4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole.
What is the SMILES notation for 4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole?
The canonical SMILES for 4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole is COc1cccc2oc(COC3CCNCC3)nc12.
What is the InChIKey of 4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole?
The InChIKey is MKLPJGWPSOIAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-17-11-3-2-4-12-14(11)16-13(19-12)9-18-10-5-7-15-8-6-10/h2-4,10,15H,5-9H2,1H3.
What are the key properties of 4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole?
4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole has a molecular weight of 262.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole is sourced from PubChem (CID 114764927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).