N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide

C16H15BrN4O4 — CID 53086684

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOc1ccc(Br)cc1CNC(=O)Cn1cnc2onc(C)c2c1=O
InChIInChI=1S/C16H15BrN4O4/c1-9-14-15(25-20-9)19-8-21(16(14)23)7-13(22)18-6-10-5-11(17)3-4-12(10)24-2/h3-5,8H,6-7H2,1-2H3,(H,18,22)
InChIKeyPKVBZEMMAWFHPN-UHFFFAOYSA-N
MW407.22 g/mol
LogP1.78
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 53086684) has the molecular formula C16H15BrN4O4 and a molecular weight of 407.22 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID53086684
Molecular FormulaC16H15BrN4O4
Molecular Weight407.22 g/mol
Exact Mass406.03
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOc1ccc(Br)cc1CNC(=O)Cn1cnc2onc(C)c2c1=O
InChIInChI=1S/C16H15BrN4O4/c1-9-14-15(25-20-9)19-8-21(16(14)23)7-13(22)18-6-10-5-11(17)3-4-12(10)24-2/h3-5,8H,6-7H2,1-2H3,(H,18,22)
InChIKeyPKVBZEMMAWFHPN-UHFFFAOYSA-N
XLogP1.78
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 53086684) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is COc1ccc(Br)cc1CNC(=O)Cn1cnc2onc(C)c2c1=O.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is PKVBZEMMAWFHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O4/c1-9-14-15(25-20-9)19-8-21(16(14)23)7-13(22)18-6-10-5-11(17)3-4-12(10)24-2/h3-5,8H,6-7H2,1-2H3,(H,18,22).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 407.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 53086684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).