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

C19H20FN3O4 — CID 36828821

IUPAC[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCC(C)Cc1noc(COC(=O)CCc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C19H20FN3O4/c1-12(2)9-16-22-18(27-23-16)11-25-19(24)8-7-17-21-10-15(26-17)13-3-5-14(20)6-4-13/h3-6,10,12H,7-9,11H2,1-2H3
InChIKeyUYZNCGACMLLFSW-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.74
Rot. Bonds8

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

[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 36828821) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID36828821
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCC(C)Cc1noc(COC(=O)CCc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C19H20FN3O4/c1-12(2)9-16-22-18(27-23-16)11-25-19(24)8-7-17-21-10-15(26-17)13-3-5-14(20)6-4-13/h3-6,10,12H,7-9,11H2,1-2H3
InChIKeyUYZNCGACMLLFSW-UHFFFAOYSA-N
XLogP3.74
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-chloro-4-fluorophenyl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490902
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 55533263
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34775688
ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 42297125
phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490600
[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
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509021
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 55533824
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate
CID 60541333
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55533914
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55508959

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 36828821) is [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is CC(C)Cc1noc(COC(=O)CCc2ncc(-c3ccc(F)cc3)o2)n1.
What is the InChIKey of [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is UYZNCGACMLLFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-12(2)9-16-22-18(27-23-16)11-25-19(24)8-7-17-21-10-15(26-17)13-3-5-14(20)6-4-13/h3-6,10,12H,7-9,11H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 373.38 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 36828821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).