N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide

C20H18BrFN2O4 — CID 17254123

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
SMILESCOc1ccc(Br)cc1CNC(=O)COCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C20H18BrFN2O4/c1-26-18-7-4-15(21)8-14(18)10-23-20(25)12-27-11-17-9-19(28-24-17)13-2-5-16(22)6-3-13/h2-9H,10-12H2,1H3,(H,23,25)
InChIKeyXASSAIPNACJNFX-UHFFFAOYSA-N
MW449.28 g/mol
LogP4.08
Rot. Bonds8

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide (PubChem CID 17254123) has the molecular formula C20H18BrFN2O4 and a molecular weight of 449.28 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
PubChem CID17254123
Molecular FormulaC20H18BrFN2O4
Molecular Weight449.28 g/mol
Exact Mass448.04
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
SMILESCOc1ccc(Br)cc1CNC(=O)COCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C20H18BrFN2O4/c1-26-18-7-4-15(21)8-14(18)10-23-20(25)12-27-11-17-9-19(28-24-17)13-2-5-16(22)6-3-13/h2-9H,10-12H2,1H3,(H,23,25)
InChIKeyXASSAIPNACJNFX-UHFFFAOYSA-N
XLogP4.08
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254242
N-[(4-fluorophenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254007
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 20906254
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 17254128
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(3-phenylpropyl)acetamide
CID 17254071
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 20906265
N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 46275206
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16879298
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide
CID 20906258
methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate
CID 17254056
4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866880
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866534

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide (CID 17254123) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide is COc1ccc(Br)cc1CNC(=O)COCc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The InChIKey is XASSAIPNACJNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN2O4/c1-26-18-7-4-15(21)8-14(18)10-23-20(25)12-27-11-17-9-19(28-24-17)13-2-5-16(22)6-3-13/h2-9H,10-12H2,1H3,(H,23,25).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide has a molecular weight of 449.28 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide is sourced from PubChem (CID 17254123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).