(3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate

C21H15FN2O4S — CID 30778610

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C21H15FN2O4S/c22-15-6-8-16(9-7-15)26-12-20-23-19(13-29-20)21(25)27-11-17-10-18(24-28-17)14-4-2-1-3-5-14/h1-10,13H,11-12H2
InChIKeyJTUYEMAEFAJTIZ-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.87
Rot. Bonds7

About (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate

(3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate (PubChem CID 30778610) has the molecular formula C21H15FN2O4S and a molecular weight of 410.43 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate
PubChem CID30778610
Molecular FormulaC21H15FN2O4S
Molecular Weight410.43 g/mol
Exact Mass410.07
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C21H15FN2O4S/c22-15-6-8-16(9-7-15)26-12-20-23-19(13-29-20)21(25)27-11-17-10-18(24-28-17)14-4-2-1-3-5-14/h1-10,13H,11-12H2
InChIKeyJTUYEMAEFAJTIZ-UHFFFAOYSA-N
XLogP4.87
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate (CID 30778610) is (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate is O=C(OCc1cc(-c2ccccc2)no1)c1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is JTUYEMAEFAJTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4S/c22-15-6-8-16(9-7-15)26-12-20-23-19(13-29-20)21(25)27-11-17-10-18(24-28-17)14-4-2-1-3-5-14/h1-10,13H,11-12H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate?
(3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 410.43 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 30778610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).