(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate

C16H13FN2O4S — CID 75434252

IUPAC(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESO=C(OCc1nc2ccc(F)cc2o1)c1cnc(C2CCCO2)s1
InChIInChI=1S/C16H13FN2O4S/c17-9-3-4-10-12(6-9)23-14(19-10)8-22-16(20)13-7-18-15(24-13)11-2-1-5-21-11/h3-4,6-7,11H,1-2,5,8H2
InChIKeyKPSKURUCFSEVRS-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.63
Rot. Bonds4

About (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate

(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 75434252) has the molecular formula C16H13FN2O4S and a molecular weight of 348.36 g/mol. Its IUPAC name is (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID75434252
Molecular FormulaC16H13FN2O4S
Molecular Weight348.36 g/mol
Exact Mass348.06
IUPAC Name(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESO=C(OCc1nc2ccc(F)cc2o1)c1cnc(C2CCCO2)s1
InChIInChI=1S/C16H13FN2O4S/c17-9-3-4-10-12(6-9)23-14(19-10)8-22-16(20)13-7-18-15(24-13)11-2-1-5-21-11/h3-4,6-7,11H,1-2,5,8H2
InChIKeyKPSKURUCFSEVRS-UHFFFAOYSA-N
XLogP3.63
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate (CID 75434252) is (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate is O=C(OCc1nc2ccc(F)cc2o1)c1cnc(C2CCCO2)s1.
What is the InChIKey of (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is KPSKURUCFSEVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4S/c17-9-3-4-10-12(6-9)23-14(19-10)8-22-16(20)13-7-18-15(24-13)11-2-1-5-21-11/h3-4,6-7,11H,1-2,5,8H2.
What are the key properties of (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,3-benzoxazol-2-yl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 75434252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).