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

C21H21FN2O3S — CID 17254128

IUPAC2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(CCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C21H21FN2O3S/c1-28-19-8-2-15(3-9-19)10-11-23-21(25)14-26-13-18-12-20(27-24-18)16-4-6-17(22)7-5-16/h2-9,12H,10-11,13-14H2,1H3,(H,23,25)
InChIKeyOZGISSCRZQTVBV-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.08
Rot. Bonds9

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

2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 17254128) has the molecular formula C21H21FN2O3S and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID17254128
Molecular FormulaC21H21FN2O3S
Molecular Weight400.48 g/mol
Exact Mass400.13
IUPAC Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(CCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C21H21FN2O3S/c1-28-19-8-2-15(3-9-19)10-11-23-21(25)14-26-13-18-12-20(27-24-18)16-4-6-17(22)7-5-16/h2-9,12H,10-11,13-14H2,1H3,(H,23,25)
InChIKeyOZGISSCRZQTVBV-UHFFFAOYSA-N
XLogP4.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 20906265
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
N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 46275206
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
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
2-(4-fluorophenyl)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314644
methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate
CID 17254056
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)acetamide
CID 16878767
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 50757756

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide (CID 17254128) is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(CCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is OZGISSCRZQTVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3S/c1-28-19-8-2-15(3-9-19)10-11-23-21(25)14-26-13-18-12-20(27-24-18)16-4-6-17(22)7-5-16/h2-9,12H,10-11,13-14H2,1H3,(H,23,25).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 17254128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).