5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole

C14H11FN2O3S2 — CID 167815649

IUPAC5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole
SMILESO=S(=O)(Cc1ncc(C2CC2)o1)c1nc2cc(F)ccc2s1
InChIInChI=1S/C14H11FN2O3S2/c15-9-3-4-12-10(5-9)17-14(21-12)22(18,19)7-13-16-6-11(20-13)8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyOKQHFRGUYOLJPC-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.27
Rot. Bonds4

About 5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole

5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole (PubChem CID 167815649) has the molecular formula C14H11FN2O3S2 and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole
PubChem CID167815649
Molecular FormulaC14H11FN2O3S2
Molecular Weight338.39 g/mol
Exact Mass338.02
IUPAC Name5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole
SMILESO=S(=O)(Cc1ncc(C2CC2)o1)c1nc2cc(F)ccc2s1
InChIInChI=1S/C14H11FN2O3S2/c15-9-3-4-12-10(5-9)17-14(21-12)22(18,19)7-13-16-6-11(20-13)8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyOKQHFRGUYOLJPC-UHFFFAOYSA-N
XLogP3.27
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole?
The IUPAC name of 5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole (CID 167815649) is 5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole?
The canonical SMILES for 5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole is O=S(=O)(Cc1ncc(C2CC2)o1)c1nc2cc(F)ccc2s1.
What is the InChIKey of 5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole?
The InChIKey is OKQHFRGUYOLJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S2/c15-9-3-4-12-10(5-9)17-14(21-12)22(18,19)7-13-16-6-11(20-13)8-1-2-8/h3-6,8H,1-2,7H2.
What are the key properties of 5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole?
5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole has a molecular weight of 338.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)sulfonylmethyl]-1,3-oxazole is sourced from PubChem (CID 167815649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).