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

C23H21BrN4O4 — CID 53107907

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
SMILESCCc1nc(OCC(=O)NCc2cc(Br)ccc2OC)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C23H21BrN4O4/c1-3-18-26-22(20-21(28-32-23(20)27-18)14-7-5-4-6-8-14)31-13-19(29)25-12-15-11-16(24)9-10-17(15)30-2/h4-11H,3,12-13H2,1-2H3,(H,25,29)
InChIKeyBDXXJHSYQDZFDS-UHFFFAOYSA-N
MW497.35 g/mol
LogP4.31
Rot. Bonds8

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

N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide (PubChem CID 53107907) has the molecular formula C23H21BrN4O4 and a molecular weight of 497.35 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
PubChem CID53107907
Molecular FormulaC23H21BrN4O4
Molecular Weight497.35 g/mol
Exact Mass496.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
SMILESCCc1nc(OCC(=O)NCc2cc(Br)ccc2OC)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C23H21BrN4O4/c1-3-18-26-22(20-21(28-32-23(20)27-18)14-7-5-4-6-8-14)31-13-19(29)25-12-15-11-16(24)9-10-17(15)30-2/h4-11H,3,12-13H2,1-2H3,(H,25,29)
InChIKeyBDXXJHSYQDZFDS-UHFFFAOYSA-N
XLogP4.31
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53108013
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-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide
CID 53108016
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide
CID 53108011
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 20877615
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
CID 53107887
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3243551
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46481979
4-[(5-bromo-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 115163690
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide (CID 53107907) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide is CCc1nc(OCC(=O)NCc2cc(Br)ccc2OC)c2c(-c3ccccc3)noc2n1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
The InChIKey is BDXXJHSYQDZFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O4/c1-3-18-26-22(20-21(28-32-23(20)27-18)14-7-5-4-6-8-14)31-13-19(29)25-12-15-11-16(24)9-10-17(15)30-2/h4-11H,3,12-13H2,1-2H3,(H,25,29).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide has a molecular weight of 497.35 g/mol, XLogP of 4.31, 8 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-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide is sourced from PubChem (CID 53107907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).