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

C13H19FN4O4S — CID 91960074

IUPAC(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C13H19FN4O4S/c1-2-9-23(20,21)17-5-3-16(4-6-17)12(19)11-10(14)13-18(15-11)7-8-22-13/h2-9H2,1H3
InChIKeyDGKRMQYCSOKKMZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP-0.09
Rot. Bonds4

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

(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 91960074) has the molecular formula C13H19FN4O4S and a molecular weight of 346.38 g/mol. Its IUPAC name is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID91960074
Molecular FormulaC13H19FN4O4S
Molecular Weight346.38 g/mol
Exact Mass346.11
IUPAC Name(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C13H19FN4O4S/c1-2-9-23(20,21)17-5-3-16(4-6-17)12(19)11-10(14)13-18(15-11)7-8-22-13/h2-9H2,1H3
InChIKeyDGKRMQYCSOKKMZ-UHFFFAOYSA-N
XLogP-0.09
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7-Fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91960053
7-fluoro-N-(1-methylpiperidin-4-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960058
7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960065
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960066
N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960067
(7-Fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 91960073
(4-Ethylsulfonylpiperazin-1-yl)-(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)methanone
CID 91960075
7-fluoro-N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960077
7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960078
7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960079
(7-Fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]methanone
CID 91960083
7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960084

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 91960074) is (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=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-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is DGKRMQYCSOKKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O4S/c1-2-9-23(20,21)17-5-3-16(4-6-17)12(19)11-10(14)13-18(15-11)7-8-22-13/h2-9H2,1H3.
What are the key properties of (7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 346.38 g/mol, XLogP of -0.09, 4 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-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 91960074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).