[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate

C21H19FN2O4 — CID 42490358

IUPAC[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccccc1NC(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H19FN2O4/c1-14-4-2-3-5-17(14)24-19(25)13-27-21(26)11-10-20-23-12-18(28-20)15-6-8-16(22)9-7-15/h2-9,12H,10-11,13H2,1H3,(H,24,25)
InChIKeyKGEIAXUUWPVXQS-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.90
Rot. Bonds7

About [2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate

[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 42490358) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID42490358
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccccc1NC(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H19FN2O4/c1-14-4-2-3-5-17(14)24-19(25)13-27-21(26)11-10-20-23-12-18(28-20)15-6-8-16(22)9-7-15/h2-9,12H,10-11,13H2,1H3,(H,24,25)
InChIKeyKGEIAXUUWPVXQS-UHFFFAOYSA-N
XLogP3.90
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490524
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42491257
[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 42295659
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16603315
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490887
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509021
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33373655
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490406
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 43039178
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 42490358) is [2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is Cc1ccccc1NC(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is KGEIAXUUWPVXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-14-4-2-3-5-17(14)24-19(25)13-27-21(26)11-10-20-23-12-18(28-20)15-6-8-16(22)9-7-15/h2-9,12H,10-11,13H2,1H3,(H,24,25).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 382.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 42490358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).