6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole

C18H26N2O3 — CID 58018593

IUPAC6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole
SMILESCOCc1c(OC)ccc2c(CCC3CCN(C)CC3)noc12
InChIInChI=1S/C18H26N2O3/c1-20-10-8-13(9-11-20)4-6-16-14-5-7-17(22-3)15(12-21-2)18(14)23-19-16/h5,7,13H,4,6,8-12H2,1-3H3
InChIKeyJXQDJMBRQGMHTK-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.26
Rot. Bonds6

About 6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole

6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole (PubChem CID 58018593) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole
PubChem CID58018593
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole
SMILESCOCc1c(OC)ccc2c(CCC3CCN(C)CC3)noc12
InChIInChI=1S/C18H26N2O3/c1-20-10-8-13(9-11-20)4-6-16-14-5-7-17(22-3)15(12-21-2)18(14)23-19-16/h5,7,13H,4,6,8-12H2,1-3H3
InChIKeyJXQDJMBRQGMHTK-UHFFFAOYSA-N
XLogP3.26
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole?
The IUPAC name of 6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole (CID 58018593) is 6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole.
What is the SMILES notation for 6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole?
The canonical SMILES for 6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole is COCc1c(OC)ccc2c(CCC3CCN(C)CC3)noc12.
What is the InChIKey of 6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole?
The InChIKey is JXQDJMBRQGMHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20-10-8-13(9-11-20)4-6-16-14-5-7-17(22-3)15(12-21-2)18(14)23-19-16/h5,7,13H,4,6,8-12H2,1-3H3.
What are the key properties of 6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole?
6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole has a molecular weight of 318.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole is sourced from PubChem (CID 58018593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).