(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C11H15FN4O4S — CID 91960053

IUPAC(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C11H15FN4O4S/c1-21(18,19)15-4-2-14(3-5-15)10(17)9-8(12)11-16(13-9)6-7-20-11/h2-7H2,1H3
InChIKeyHBDLIYLDVZUISG-UHFFFAOYSA-N
MW318.33 g/mol
LogP-0.87
Rot. Bonds2

About (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 91960053) has the molecular formula C11H15FN4O4S and a molecular weight of 318.33 g/mol. Its IUPAC name is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID91960053
Molecular FormulaC11H15FN4O4S
Molecular Weight318.33 g/mol
Exact Mass318.08
IUPAC Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C11H15FN4O4S/c1-21(18,19)15-4-2-14(3-5-15)10(17)9-8(12)11-16(13-9)6-7-20-11/h2-7H2,1H3
InChIKeyHBDLIYLDVZUISG-UHFFFAOYSA-N
XLogP-0.87
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 91960053) is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2nn3c(c2F)OCC3)CC1.
What is the InChIKey of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is HBDLIYLDVZUISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O4S/c1-21(18,19)15-4-2-14(3-5-15)10(17)9-8(12)11-16(13-9)6-7-20-11/h2-7H2,1H3.
What are the key properties of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 318.33 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 91960053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).