1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate

C20H15FN2O3S — CID 24593809

IUPAC1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)OCc1nc2ccccc2s1
InChIInChI=1S/C20H15FN2O3S/c21-14-6-2-1-5-13(14)16-11-22-18(26-16)9-10-20(24)25-12-19-23-15-7-3-4-8-17(15)27-19/h1-8,11H,9-10,12H2
InChIKeyBMLSACLTBREFRY-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.77
Rot. Bonds6

About 1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate

1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 24593809) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is 1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID24593809
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)OCc1nc2ccccc2s1
InChIInChI=1S/C20H15FN2O3S/c21-14-6-2-1-5-13(14)16-11-22-18(26-16)9-10-20(24)25-12-19-23-15-7-3-4-8-17(15)27-19/h1-8,11H,9-10,12H2
InChIKeyBMLSACLTBREFRY-UHFFFAOYSA-N
XLogP4.77
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of 1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 24593809) is 1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for 1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for 1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate is O=C(CCc1ncc(-c2ccccc2F)o1)OCc1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is BMLSACLTBREFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c21-14-6-2-1-5-13(14)16-11-22-18(26-16)9-10-20(24)25-12-19-23-15-7-3-4-8-17(15)27-19/h1-8,11H,9-10,12H2.
What are the key properties of 1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 382.42 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-ylmethyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 24593809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).