3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one

C19H20N4O5 — CID 74225543

IUPAC3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one
SMILESO=C(CCn1c(=O)oc2ccccc21)N1CCOC(COc2ncccn2)C1
InChIInChI=1S/C19H20N4O5/c24-17(6-9-23-15-4-1-2-5-16(15)28-19(23)25)22-10-11-26-14(12-22)13-27-18-20-7-3-8-21-18/h1-5,7-8,14H,6,9-13H2
InChIKeySNDBRZPPGWTVTF-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.08
Rot. Bonds6

About 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one

3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one (PubChem CID 74225543) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one
PubChem CID74225543
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one
SMILESO=C(CCn1c(=O)oc2ccccc21)N1CCOC(COc2ncccn2)C1
InChIInChI=1S/C19H20N4O5/c24-17(6-9-23-15-4-1-2-5-16(15)28-19(23)25)22-10-11-26-14(12-22)13-27-18-20-7-3-8-21-18/h1-5,7-8,14H,6,9-13H2
InChIKeySNDBRZPPGWTVTF-UHFFFAOYSA-N
XLogP1.08
TPSA99.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one 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 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one (CID 74225543) is 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one is O=C(CCn1c(=O)oc2ccccc21)N1CCOC(COc2ncccn2)C1.
What is the InChIKey of 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one?
The InChIKey is SNDBRZPPGWTVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c24-17(6-9-23-15-4-1-2-5-16(15)28-19(23)25)22-10-11-26-14(12-22)13-27-18-20-7-3-8-21-18/h1-5,7-8,14H,6,9-13H2.
What are the key properties of 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one?
3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one has a molecular weight of 384.39 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 74225543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).