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

C24H23FN4O4 — CID 53107933

IUPACN-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
SMILESCCCCOc1ccc(CNC(=O)COc2ncnc3onc(-c4cccc(F)c4)c23)cc1
InChIInChI=1S/C24H23FN4O4/c1-2-3-11-31-19-9-7-16(8-10-19)13-26-20(30)14-32-23-21-22(17-5-4-6-18(25)12-17)29-33-24(21)28-15-27-23/h4-10,12,15H,2-3,11,13-14H2,1H3,(H,26,30)
InChIKeyKVUAIWPDHMJAJA-UHFFFAOYSA-N
MW450.47 g/mol
LogP4.30
Rot. Bonds10

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

N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide (PubChem CID 53107933) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
PubChem CID53107933
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC NameN-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
SMILESCCCCOc1ccc(CNC(=O)COc2ncnc3onc(-c4cccc(F)c4)c23)cc1
InChIInChI=1S/C24H23FN4O4/c1-2-3-11-31-19-9-7-16(8-10-19)13-26-20(30)14-32-23-21-22(17-5-4-6-18(25)12-17)29-33-24(21)28-15-27-23/h4-10,12,15H,2-3,11,13-14H2,1H3,(H,26,30)
InChIKeyKVUAIWPDHMJAJA-UHFFFAOYSA-N
XLogP4.30
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107928
2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide
CID 53107983
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-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
2-[3-(3-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 46358104
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-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
2-[[3-(3,4-dimethylphenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 53108000
N-benzyl-2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50755668
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107791
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059
2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46321916

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide (CID 53107933) is N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide is CCCCOc1ccc(CNC(=O)COc2ncnc3onc(-c4cccc(F)c4)c23)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide?
The InChIKey is KVUAIWPDHMJAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-2-3-11-31-19-9-7-16(8-10-19)13-26-20(30)14-32-23-21-22(17-5-4-6-18(25)12-17)29-33-24(21)28-15-27-23/h4-10,12,15H,2-3,11,13-14H2,1H3,(H,26,30).
What are the key properties of N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide?
N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide has a molecular weight of 450.47 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide is sourced from PubChem (CID 53107933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).