(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate

C16H12ClNO4S — CID 8650138

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C16H12ClNO4S/c17-11-3-5-13(6-4-11)20-10-16(19)21-9-12-8-14(22-18-12)15-2-1-7-23-15/h1-8H,9-10H2
InChIKeyJRZSAGSQTRISCW-UHFFFAOYSA-N
MW349.80 g/mol
LogP4.18
Rot. Bonds6

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate (PubChem CID 8650138) has the molecular formula C16H12ClNO4S and a molecular weight of 349.80 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate
PubChem CID8650138
Molecular FormulaC16H12ClNO4S
Molecular Weight349.80 g/mol
Exact Mass349.02
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C16H12ClNO4S/c17-11-3-5-13(6-4-11)20-10-16(19)21-9-12-8-14(22-18-12)15-2-1-7-23-15/h1-8H,9-10H2
InChIKeyJRZSAGSQTRISCW-UHFFFAOYSA-N
XLogP4.18
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-Thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-cyanophenoxy)propanoate
CID 45352259
2-[[5-(5-Chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy]aniline
CID 101886607
2-((5-(Thiophen-2-yl)isoxazol-3-yl)methoxy)acetic acid
CID 116414660
(5-(thiophen-2-yl)isoxazol-3-yl)methyl 4-oxo-4H-chromene-2-carboxylate
CID 8648549
[5-(p-Chlorophenyl)-3-isoxazolyl]methyl (2-thienyl)acetate
CID 16869618
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate
CID 16870194
(5-(4-Chlorophenyl)isoxazol-3-yl)methyl thiophene-2-carboxylate
CID 42478357
4-Fluorophenyl 5-(thiophen-2-yl)-1,2-oxazole-3-carboxylate
CID 17011456
2-Fluorophenyl 5-(2-thienyl)isoxazole-3-carboxylate
CID 17011459
(5-Thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate
CID 8624880
(5-Thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-chloro-2-fluorobenzoate
CID 8664297
(5-Thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate
CID 8941854

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate (CID 8650138) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate?
The InChIKey is JRZSAGSQTRISCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4S/c17-11-3-5-13(6-4-11)20-10-16(19)21-9-12-8-14(22-18-12)15-2-1-7-23-15/h1-8H,9-10H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate has a molecular weight of 349.80 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 8650138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).