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

C13H19FN4O2 — CID 91960117

IUPAC(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C13H19FN4O2/c1-2-3-16-4-6-17(7-5-16)12(19)11-10(14)13-18(15-11)8-9-20-13/h2-9H2,1H3
InChIKeyOXGMUXDNPYDYBA-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.58
Rot. Bonds3

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

(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 91960117) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone
PubChem CID91960117
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C13H19FN4O2/c1-2-3-16-4-6-17(7-5-16)12(19)11-10(14)13-18(15-11)8-9-20-13/h2-9H2,1H3
InChIKeyOXGMUXDNPYDYBA-UHFFFAOYSA-N
XLogP0.58
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.58
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-propylpiperazin-1-yl)methanone?
The IUPAC name of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone (CID 91960117) is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(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-propylpiperazin-1-yl)methanone?
The InChIKey is OXGMUXDNPYDYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-2-3-16-4-6-17(7-5-16)12(19)11-10(14)13-18(15-11)8-9-20-13/h2-9H2,1H3.
What are the key properties of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone?
(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 282.32 g/mol, XLogP of 0.58, 3 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-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 91960117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).