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

C21H17FN4O3 — CID 53107773

IUPACN-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
SMILESCc1nc(OCC(=O)NCc2ccc(F)cc2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C21H17FN4O3/c1-13-24-20(28-12-17(27)23-11-14-7-9-16(22)10-8-14)18-19(26-29-21(18)25-13)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,23,27)
InChIKeyCXUQDYVGGPKDLK-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.43
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide (PubChem CID 53107773) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
PubChem CID53107773
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
SMILESCc1nc(OCC(=O)NCc2ccc(F)cc2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C21H17FN4O3/c1-13-24-20(28-12-17(27)23-11-14-7-9-16(22)10-8-14)18-19(26-29-21(18)25-13)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,23,27)
InChIKeyCXUQDYVGGPKDLK-UHFFFAOYSA-N
XLogP3.43
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
CID 53107887
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide
CID 53107859
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)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-(2-methoxyethyl)acetamide
CID 53107866
N-(2-chloro-4-fluorophenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107781
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
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
methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate
CID 53107758
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide
CID 53199219
2-[[3-(3-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-methoxypropyl)acetamide
CID 46381772

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide (CID 53107773) is N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide is Cc1nc(OCC(=O)NCc2ccc(F)cc2)c2c(-c3ccccc3)noc2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The InChIKey is CXUQDYVGGPKDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-13-24-20(28-12-17(27)23-11-14-7-9-16(22)10-8-14)18-19(26-29-21(18)25-13)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide has a molecular weight of 392.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide is sourced from PubChem (CID 53107773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).