2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide

C22H19FN4O3 — CID 53107887

IUPAC2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1nc(OCC(=O)NCc2ccccc2C)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C22H19FN4O3/c1-13-5-3-4-6-16(13)11-24-18(28)12-29-21-19-20(15-7-9-17(23)10-8-15)27-30-22(19)26-14(2)25-21/h3-10H,11-12H2,1-2H3,(H,24,28)
InChIKeyIJUKAMHGAMCFLY-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.74
Rot. Bonds6

About 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide

2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 53107887) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID53107887
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1nc(OCC(=O)NCc2ccccc2C)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C22H19FN4O3/c1-13-5-3-4-6-16(13)11-24-18(28)12-29-21-19-20(15-7-9-17(23)10-8-15)27-30-22(19)26-14(2)25-21/h3-10H,11-12H2,1-2H3,(H,24,28)
InChIKeyIJUKAMHGAMCFLY-UHFFFAOYSA-N
XLogP3.74
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]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-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107791
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide
CID 53107859
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53107866
N-[(2-chloro-4-fluorophenyl)methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107963
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide
CID 53199219
N-[[4-(dimethylamino)phenyl]methyl]-2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107968
N-(2-chloro-4-fluorophenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107781
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681787
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 93070893
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107788
2-[[3-(3,4-dimethylphenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 53108000

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide (CID 53107887) is 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide is Cc1nc(OCC(=O)NCc2ccccc2C)c2c(-c3ccc(F)cc3)noc2n1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is IJUKAMHGAMCFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-13-5-3-4-6-16(13)11-24-18(28)12-29-21-19-20(15-7-9-17(23)10-8-15)27-30-22(19)26-14(2)25-21/h3-10H,11-12H2,1-2H3,(H,24,28).
What are the key properties of 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide?
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 406.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53107887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).