4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid

C15H18N2O7 — CID 3044404

IUPAC4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid
SMILESO=C(O)C(=O)O.O=C1COc2ccccc2N1CC1CNCCO1
InChIInChI=1S/C13H16N2O3.C2H2O4/c16-13-9-18-12-4-2-1-3-11(12)15(13)8-10-7-14-5-6-17-10;3-1(4)2(5)6/h1-4,10,14H,5-9H2;(H,3,4)(H,5,6)
InChIKeyBCCRYAZRLOIXLK-UHFFFAOYSA-N
MW338.32 g/mol
LogP-0.44
Rot. Bonds2

About 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid

4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid (PubChem CID 3044404) has the molecular formula C15H18N2O7 and a molecular weight of 338.32 g/mol. Its IUPAC name is 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid.

Molecular Properties

Compound Name4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid
PubChem CID3044404
Molecular FormulaC15H18N2O7
Molecular Weight338.32 g/mol
Exact Mass338.11
IUPAC Name4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid
SMILESO=C(O)C(=O)O.O=C1COc2ccccc2N1CC1CNCCO1
InChIInChI=1S/C13H16N2O3.C2H2O4/c16-13-9-18-12-4-2-1-3-11(12)15(13)8-10-7-14-5-6-17-10;3-1(4)2(5)6/h1-4,10,14H,5-9H2;(H,3,4)(H,5,6)
InChIKeyBCCRYAZRLOIXLK-UHFFFAOYSA-N
XLogP-0.44
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid 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-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid?
The IUPAC name of 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid (CID 3044404) is 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid.
What is the SMILES notation for 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid?
The canonical SMILES for 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid is O=C(O)C(=O)O.O=C1COc2ccccc2N1CC1CNCCO1.
What is the InChIKey of 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid?
The InChIKey is BCCRYAZRLOIXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3.C2H2O4/c16-13-9-18-12-4-2-1-3-11(12)15(13)8-10-7-14-5-6-17-10;3-1(4)2(5)6/h1-4,10,14H,5-9H2;(H,3,4)(H,5,6).
What are the key properties of 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid?
4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid has a molecular weight of 338.32 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalic acid is sourced from PubChem (CID 3044404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).