N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide

C20H18ClFN2O3 — CID 20906265

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
SMILESO=C(COCc1cc(-c2ccc(F)cc2)on1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClFN2O3/c21-16-5-1-14(2-6-16)9-10-23-20(25)13-26-12-18-11-19(27-24-18)15-3-7-17(22)8-4-15/h1-8,11H,9-10,12-13H2,(H,23,25)
InChIKeyPQHYYVFGELMGST-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.01
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide (PubChem CID 20906265) has the molecular formula C20H18ClFN2O3 and a molecular weight of 388.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
PubChem CID20906265
Molecular FormulaC20H18ClFN2O3
Molecular Weight388.83 g/mol
Exact Mass388.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
SMILESO=C(COCc1cc(-c2ccc(F)cc2)on1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClFN2O3/c21-16-5-1-14(2-6-16)9-10-23-20(25)13-26-12-18-11-19(27-24-18)15-3-7-17(22)8-4-15/h1-8,11H,9-10,12-13H2,(H,23,25)
InChIKeyPQHYYVFGELMGST-UHFFFAOYSA-N
XLogP4.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 17254128
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-(3-phenylpropyl)acetamide
CID 17254071
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 20906254
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-(4-fluorophenyl)acetate
CID 16869611
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
CID 16869687
N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 46275206
2-(4-fluorophenyl)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314644
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide
CID 20906258
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254123
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide (CID 20906265) is N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide is O=C(COCc1cc(-c2ccc(F)cc2)on1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The InChIKey is PQHYYVFGELMGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3/c21-16-5-1-14(2-6-16)9-10-23-20(25)13-26-12-18-11-19(27-24-18)15-3-7-17(22)8-4-15/h1-8,11H,9-10,12-13H2,(H,23,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide has a molecular weight of 388.83 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide is sourced from PubChem (CID 20906265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).