(5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C20H13FN2O3S — CID 8824547

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H13FN2O3S/c21-15-8-6-14(7-9-15)19-23-16(12-27-19)20(24)25-11-18-22-10-17(26-18)13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyQKGYAEALAPWWTB-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.96
Rot. Bonds5

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

(5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8824547) has the molecular formula C20H13FN2O3S and a molecular weight of 380.40 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID8824547
Molecular FormulaC20H13FN2O3S
Molecular Weight380.40 g/mol
Exact Mass380.06
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H13FN2O3S/c21-15-8-6-14(7-9-15)19-23-16(12-27-19)20(24)25-11-18-22-10-17(26-18)13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyQKGYAEALAPWWTB-UHFFFAOYSA-N
XLogP4.96
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 8824547) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is O=C(OCc1ncc(-c2ccccc2)o1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QKGYAEALAPWWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3S/c21-15-8-6-14(7-9-15)19-23-16(12-27-19)20(24)25-11-18-22-10-17(26-18)13-4-2-1-3-5-13/h1-10,12H,11H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8824547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).