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

C16H13FN2O3S — CID 58752264

IUPACethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2c(-c3ccc(F)cc3)noc2C)cs1
InChIInChI=1S/C16H13FN2O3S/c1-3-21-16(20)15-18-12(8-23-15)13-9(2)22-19-14(13)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3
InChIKeyDGMGKGJEGYCFTN-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.09
Rot. Bonds4

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

ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate (PubChem CID 58752264) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate
PubChem CID58752264
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Nameethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2c(-c3ccc(F)cc3)noc2C)cs1
InChIInChI=1S/C16H13FN2O3S/c1-3-21-16(20)15-18-12(8-23-15)13-9(2)22-19-14(13)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3
InChIKeyDGMGKGJEGYCFTN-UHFFFAOYSA-N
XLogP4.09
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate (CID 58752264) is ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2c(-c3ccc(F)cc3)noc2C)cs1.
What is the InChIKey of ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate?
The InChIKey is DGMGKGJEGYCFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-3-21-16(20)15-18-12(8-23-15)13-9(2)22-19-14(13)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate?
ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 58752264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).