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

C24H21FN4O6 — CID 30180519

IUPAC[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOc1ccccc1NC(=O)Cc1noc(COC(=O)CCc2ncc(-c3ccccc3F)o2)n1
InChIInChI=1S/C24H21FN4O6/c1-32-18-9-5-4-8-17(18)27-21(30)12-20-28-23(35-29-20)14-33-24(31)11-10-22-26-13-19(34-22)15-6-2-3-7-16(15)25/h2-9,13H,10-12,14H2,1H3,(H,27,30)
InChIKeyQIIIJLKVCGUFGA-UHFFFAOYSA-N
MW480.45 g/mol
LogP3.73
Rot. Bonds10

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

[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 30180519) has the molecular formula C24H21FN4O6 and a molecular weight of 480.45 g/mol. Its IUPAC name is [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID30180519
Molecular FormulaC24H21FN4O6
Molecular Weight480.45 g/mol
Exact Mass480.14
IUPAC Name[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOc1ccccc1NC(=O)Cc1noc(COC(=O)CCc2ncc(-c3ccccc3F)o2)n1
InChIInChI=1S/C24H21FN4O6/c1-32-18-9-5-4-8-17(18)27-21(30)12-20-28-23(35-29-20)14-33-24(31)11-10-22-26-13-19(34-22)15-6-2-3-7-16(15)25/h2-9,13H,10-12,14H2,1H3,(H,27,30)
InChIKeyQIIIJLKVCGUFGA-UHFFFAOYSA-N
XLogP3.73
TPSA129.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate with MolForge

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46538866
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methoxy-4-methylsulfanylbenzoate
CID 2450914
(4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55508434
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 29496795
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 24608720
(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55486440
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 36828821
3,3-dimethylbutyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 78850724
(3,3-dimethyl-2-oxobutyl) 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509093
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate
CID 27535184

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 30180519) is [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate is COc1ccccc1NC(=O)Cc1noc(COC(=O)CCc2ncc(-c3ccccc3F)o2)n1.
What is the InChIKey of [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is QIIIJLKVCGUFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O6/c1-32-18-9-5-4-8-17(18)27-21(30)12-20-28-23(35-29-20)14-33-24(31)11-10-22-26-13-19(34-22)15-6-2-3-7-16(15)25/h2-9,13H,10-12,14H2,1H3,(H,27,30).
What are the key properties of [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 480.45 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 30180519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).