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

C11H15FN4O2 — CID 91960100

IUPAC(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C11H15FN4O2/c1-14-2-4-15(5-3-14)10(17)9-8(12)11-16(13-9)6-7-18-11/h2-7H2,1H3
InChIKeyAFZYYURSPRNNON-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.20
Rot. Bonds1

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

(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 91960100) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID91960100
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C11H15FN4O2/c1-14-2-4-15(5-3-14)10(17)9-8(12)11-16(13-9)6-7-18-11/h2-7H2,1H3
InChIKeyAFZYYURSPRNNON-UHFFFAOYSA-N
XLogP-0.20
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-methylpiperazin-1-yl)methanone?
The IUPAC name of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone (CID 91960100) is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(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-methylpiperazin-1-yl)methanone?
The InChIKey is AFZYYURSPRNNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-14-2-4-15(5-3-14)10(17)9-8(12)11-16(13-9)6-7-18-11/h2-7H2,1H3.
What are the key properties of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone?
(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 254.26 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 91960100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).