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

C13H20FN5O4S — CID 91960065

IUPAC7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C13H20FN5O4S/c1-24(21,22)18-6-4-17(5-7-18)3-2-15-12(20)11-10(14)13-19(16-11)8-9-23-13/h2-9H2,1H3,(H,15,20)
InChIKeyVFJKUFJLVRKECH-UHFFFAOYSA-N
MW361.40 g/mol
LogP-1.28
Rot. Bonds5

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

7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960065) has the molecular formula C13H20FN5O4S and a molecular weight of 361.40 g/mol. Its IUPAC name is 7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960065
Molecular FormulaC13H20FN5O4S
Molecular Weight361.40 g/mol
Exact Mass361.12
IUPAC Name7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C13H20FN5O4S/c1-24(21,22)18-6-4-17(5-7-18)3-2-15-12(20)11-10(14)13-19(16-11)8-9-23-13/h2-9H2,1H3,(H,15,20)
InChIKeyVFJKUFJLVRKECH-UHFFFAOYSA-N
XLogP-1.28
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960065) is 7-fluoro-N-[2-(4-methylsulfonylpiperazin-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-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1.
What is the InChIKey of 7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is VFJKUFJLVRKECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5O4S/c1-24(21,22)18-6-4-17(5-7-18)3-2-15-12(20)11-10(14)13-19(16-11)8-9-23-13/h2-9H2,1H3,(H,15,20).
What are the key properties of 7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 361.40 g/mol, XLogP of -1.28, 5 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-methylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).