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

C24H24N4O3 — CID 53107983

IUPAC2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide
SMILESCCc1ccc(CNC(=O)COc2ncnc3onc(-c4ccc(C)c(C)c4)c23)cc1
InChIInChI=1S/C24H24N4O3/c1-4-17-6-8-18(9-7-17)12-25-20(29)13-30-23-21-22(28-31-24(21)27-14-26-23)19-10-5-15(2)16(3)11-19/h5-11,14H,4,12-13H2,1-3H3,(H,25,29)
InChIKeyIRGQJEGRCKNXET-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.16
Rot. Bonds7

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

2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide (PubChem CID 53107983) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide
PubChem CID53107983
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide
SMILESCCc1ccc(CNC(=O)COc2ncnc3onc(-c4ccc(C)c(C)c4)c23)cc1
InChIInChI=1S/C24H24N4O3/c1-4-17-6-8-18(9-7-17)12-25-20(29)13-30-23-21-22(28-31-24(21)27-14-26-23)19-10-5-15(2)16(3)11-19/h5-11,14H,4,12-13H2,1-3H3,(H,25,29)
InChIKeyIRGQJEGRCKNXET-UHFFFAOYSA-N
XLogP4.16
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(4-butoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107933
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-[(2,4-dimethoxyphenyl)methyl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 53107928
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46321916
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922581
N-[(4-methylphenyl)methyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3909766
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
CID 53107887
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-(2-methoxyethyl)acetamide
CID 53108013

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide?
The IUPAC name of 2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide (CID 53107983) is 2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide is CCc1ccc(CNC(=O)COc2ncnc3onc(-c4ccc(C)c(C)c4)c23)cc1.
What is the InChIKey of 2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide?
The InChIKey is IRGQJEGRCKNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-4-17-6-8-18(9-7-17)12-25-20(29)13-30-23-21-22(28-31-24(21)27-14-26-23)19-10-5-15(2)16(3)11-19/h5-11,14H,4,12-13H2,1-3H3,(H,25,29).
What are the key properties of 2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide?
2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide is sourced from PubChem (CID 53107983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).