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

Related Compounds

3-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 30035276
N-(4-methyl-2-pyridinyl)-4-oxo-4-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]butanamide
CID 74225435
3-[3-oxo-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 55379515
N-cyclohexyl-2-(pyrimidin-2-yloxymethyl)morpholine-4-carboxamide
CID 3838021
3-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 3683349
3-[2-oxo-2-[(2R)-2-pyridin-4-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 124990788
2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone
CID 74228366
3-[3-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3864611
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725827
3-[3-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3860324
3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 24584385
3-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 33119201

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).