7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C15H24FN5O4S — CID 91960078

IUPAC7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCCCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C15H24FN5O4S/c1-2-11-26(23,24)20-7-5-19(6-8-20)4-3-17-14(22)13-12(16)15-21(18-13)9-10-25-15/h2-11H2,1H3,(H,17,22)
InChIKeyPIAYPXXSZCVVKO-UHFFFAOYSA-N
MW389.45 g/mol
LogP-0.50
Rot. Bonds7

About 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960078) has the molecular formula C15H24FN5O4S and a molecular weight of 389.45 g/mol. Its IUPAC name is 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960078
Molecular FormulaC15H24FN5O4S
Molecular Weight389.45 g/mol
Exact Mass389.15
IUPAC Name7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCCCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C15H24FN5O4S/c1-2-11-26(23,24)20-7-5-19(6-8-20)4-3-17-14(22)13-12(16)15-21(18-13)9-10-25-15/h2-11H2,1H3,(H,17,22)
InChIKeyPIAYPXXSZCVVKO-UHFFFAOYSA-N
XLogP-0.50
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide with MolForge

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Related Compounds

CID 91960053
CID 91960053
CID 91960056
CID 91960056
CID 91960058
CID 91960058
CID 91960065
CID 91960065
CID 91960066
CID 91960066
CID 91960067
CID 91960067
CID 91960073
CID 91960073
CID 91960074
CID 91960074
CID 91960075
CID 91960075
CID 91960077
CID 91960077
CID 91960079
CID 91960079
CID 91960083
CID 91960083

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960078) is 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CCCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1.
What is the InChIKey of 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is PIAYPXXSZCVVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O4S/c1-2-11-26(23,24)20-7-5-19(6-8-20)4-3-17-14(22)13-12(16)15-21(18-13)9-10-25-15/h2-11H2,1H3,(H,17,22).
What are the key properties of 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 389.45 g/mol, XLogP of -0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).