(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate

C18H14N2O4S — CID 45352259

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate
SMILESCC(Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C18H14N2O4S/c1-12(23-15-6-4-13(10-19)5-7-15)18(21)22-11-14-9-16(24-20-14)17-3-2-8-25-17/h2-9,12H,11H2,1H3
InChIKeyUZZVNQUABWCEDS-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.79
Rot. Bonds6

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate (PubChem CID 45352259) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate
PubChem CID45352259
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate
SMILESCC(Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C18H14N2O4S/c1-12(23-15-6-4-13(10-19)5-7-15)18(21)22-11-14-9-16(24-20-14)17-3-2-8-25-17/h2-9,12H,11H2,1H3
InChIKeyUZZVNQUABWCEDS-UHFFFAOYSA-N
XLogP3.79
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methyl 3-fluorobenzoate
CID 16870177
(E)-3-phenyl-1-[4-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxy]phenyl]prop-2-en-1-one
CID 155533646
3-Methyl-5-[5-[4-(2-thienyl)phenoxy]pentyl]isoxazole
CID 10336575
(5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-oxo-4H-chromene-2-carboxylate
CID 8648549
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,4-dimethoxybenzoate
CID 8649823
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate
CID 8650138
[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl 2-oxo-2H-chromene-3-carboxylate
CID 8651518
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl benzofuran-2-carboxylate
CID 8751691
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 8849121
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)benzoate
CID 8849891
[5-(4-Methylphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
CID 16869511
(5-(4-Methoxyphenyl)isoxazol-3-yl)methyl thiophene-2-carboxylate
CID 16870016

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate (CID 45352259) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate is CC(Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate?
The InChIKey is UZZVNQUABWCEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-12(23-15-6-4-13(10-19)5-7-15)18(21)22-11-14-9-16(24-20-14)17-3-2-8-25-17/h2-9,12H,11H2,1H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate has a molecular weight of 354.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 45352259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).