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

C21H17ClN4O3 — CID 53107751

IUPACN-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
SMILESCc1nc(OCC(=O)Nc2ccc(Cl)cc2C)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C21H17ClN4O3/c1-12-10-15(22)8-9-16(12)25-17(27)11-28-20-18-19(14-6-4-3-5-7-14)26-29-21(18)24-13(2)23-20/h3-10H,11H2,1-2H3,(H,25,27)
InChIKeyJXWXXSWJMRNMQY-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.57
Rot. Bonds5

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

N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide (PubChem CID 53107751) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
PubChem CID53107751
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
SMILESCc1nc(OCC(=O)Nc2ccc(Cl)cc2C)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C21H17ClN4O3/c1-12-10-15(22)8-9-16(12)25-17(27)11-28-20-18-19(14-6-4-3-5-7-14)26-29-21(18)24-13(2)23-20/h3-10H,11H2,1-2H3,(H,25,27)
InChIKeyJXWXXSWJMRNMQY-UHFFFAOYSA-N
XLogP4.57
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107781
N-(3-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107762
methyl 2-[[2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetyl]amino]benzoate
CID 53107758
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107791
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727
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
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726332
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
N-(4-chloro-2-methylphenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 7467092

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide (CID 53107751) is N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide is Cc1nc(OCC(=O)Nc2ccc(Cl)cc2C)c2c(-c3ccccc3)noc2n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The InChIKey is JXWXXSWJMRNMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-12-10-15(22)8-9-16(12)25-17(27)11-28-20-18-19(14-6-4-3-5-7-14)26-29-21(18)24-13(2)23-20/h3-10H,11H2,1-2H3,(H,25,27).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide has a molecular weight of 408.85 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide is sourced from PubChem (CID 53107751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).