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

C21H18ClFN2O5 — CID 42490406

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1Cl
InChIInChI=1S/C21H18ClFN2O5/c1-28-17-7-6-15(10-16(17)22)25-19(26)12-29-21(27)9-8-20-24-11-18(30-20)13-2-4-14(23)5-3-13/h2-7,10-11H,8-9,12H2,1H3,(H,25,26)
InChIKeyJREBLNSRTAFHOM-UHFFFAOYSA-N
MW432.84 g/mol
LogP4.26
Rot. Bonds8

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

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 42490406) has the molecular formula C21H18ClFN2O5 and a molecular weight of 432.84 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID42490406
Molecular FormulaC21H18ClFN2O5
Molecular Weight432.84 g/mol
Exact Mass432.09
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1Cl
InChIInChI=1S/C21H18ClFN2O5/c1-28-17-7-6-15(10-16(17)22)25-19(26)12-29-21(27)9-8-20-24-11-18(30-20)13-2-4-14(23)5-3-13/h2-7,10-11H,8-9,12H2,1H3,(H,25,26)
InChIKeyJREBLNSRTAFHOM-UHFFFAOYSA-N
XLogP4.26
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16603298
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509021
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
CID 33126695
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579833
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
dimethyl 5-[[2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 16579925
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731140
(4-bromo-2-chlorophenyl) 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 16591932
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579827

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 42490406) is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is COc1ccc(NC(=O)COC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is JREBLNSRTAFHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O5/c1-28-17-7-6-15(10-16(17)22)25-19(26)12-29-21(27)9-8-20-24-11-18(30-20)13-2-4-14(23)5-3-13/h2-7,10-11H,8-9,12H2,1H3,(H,25,26).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 432.84 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 42490406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).