3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid

C18H18N2O4 — CID 146682794

IUPAC3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid
SMILESO=C(O)c1cccc2c1ccc1c(CCN3CCOCC3)noc12
InChIInChI=1S/C18H18N2O4/c21-18(22)14-3-1-2-13-12(14)4-5-15-16(19-24-17(13)15)6-7-20-8-10-23-11-9-20/h1-5H,6-11H2,(H,21,22)
InChIKeyABLWXHACHIZQMD-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.55
Rot. Bonds4

About 3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid

3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid (PubChem CID 146682794) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid
PubChem CID146682794
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid
SMILESO=C(O)c1cccc2c1ccc1c(CCN3CCOCC3)noc12
InChIInChI=1S/C18H18N2O4/c21-18(22)14-3-1-2-13-12(14)4-5-15-16(19-24-17(13)15)6-7-20-8-10-23-11-9-20/h1-5H,6-11H2,(H,21,22)
InChIKeyABLWXHACHIZQMD-UHFFFAOYSA-N
XLogP2.55
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid?
The IUPAC name of 3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid (CID 146682794) is 3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid is O=C(O)c1cccc2c1ccc1c(CCN3CCOCC3)noc12.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid?
The InChIKey is ABLWXHACHIZQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-18(22)14-3-1-2-13-12(14)4-5-15-16(19-24-17(13)15)6-7-20-8-10-23-11-9-20/h1-5H,6-11H2,(H,21,22).
What are the key properties of 3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid?
3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)benzo[g][1,2]benzoxazole-6-carboxylic acid is sourced from PubChem (CID 146682794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).