N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide

C23H21N3O5 — CID 20874384

IUPACN-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1
InChIInChI=1S/C23H21N3O5/c1-15-6-8-19(9-7-15)30-14-22(27)25-17-4-3-5-20(11-17)29-13-18-12-23(28)26-21(24-18)10-16(2)31-26/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyHPDVNYMZIUMAOR-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.50
Rot. Bonds7

About N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide

N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 20874384) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID20874384
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1
InChIInChI=1S/C23H21N3O5/c1-15-6-8-19(9-7-15)30-14-22(27)25-17-4-3-5-20(11-17)29-13-18-12-23(28)26-21(24-18)10-16(2)31-26/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyHPDVNYMZIUMAOR-UHFFFAOYSA-N
XLogP3.50
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide 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

N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxyacetamide
CID 20874382
N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 20874383
N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 50764200
2-(4-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802130
4-bromo-N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 50764223
2-(3,4-dimethylphenoxy)-N-[4-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
CID 50806044
2-(4-methoxyphenoxy)-N-[3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802646
N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide
CID 50744324
2-(2,3-dimethylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
CID 50764217
3-methyl-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]butanamide
CID 50744336
N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(3-methylphenoxy)propanamide
CID 50764162
2-(2,4-dimethylphenoxy)-N-[4-methyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide
CID 50764136

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide (CID 20874384) is N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1.
What is the InChIKey of N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is HPDVNYMZIUMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-15-6-8-19(9-7-15)30-14-22(27)25-17-4-3-5-20(11-17)29-13-18-12-23(28)26-21(24-18)10-16(2)31-26/h3-12H,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide?
N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 419.44 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 20874384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).