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

C14H21FN4O5S — CID 91960084

IUPAC7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCOCCS(=O)(=O)N1CCC(NC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C14H21FN4O5S/c1-23-8-9-25(21,22)18-4-2-10(3-5-18)16-13(20)12-11(15)14-19(17-12)6-7-24-14/h10H,2-9H2,1H3,(H,16,20)
InChIKeyOJKFDVNBMDTCLN-UHFFFAOYSA-N
MW376.41 g/mol
LogP-0.41
Rot. Bonds6

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

7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960084) has the molecular formula C14H21FN4O5S and a molecular weight of 376.41 g/mol. Its IUPAC name is 7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960084
Molecular FormulaC14H21FN4O5S
Molecular Weight376.41 g/mol
Exact Mass376.12
IUPAC Name7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCOCCS(=O)(=O)N1CCC(NC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C14H21FN4O5S/c1-23-8-9-25(21,22)18-4-2-10(3-5-18)16-13(20)12-11(15)14-19(17-12)6-7-24-14/h10H,2-9H2,1H3,(H,16,20)
InChIKeyOJKFDVNBMDTCLN-UHFFFAOYSA-N
XLogP-0.41
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960084) is 7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is COCCS(=O)(=O)N1CCC(NC(=O)c2nn3c(c2F)OCC3)CC1.
What is the InChIKey of 7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is OJKFDVNBMDTCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O5S/c1-23-8-9-25(21,22)18-4-2-10(3-5-18)16-13(20)12-11(15)14-19(17-12)6-7-24-14/h10H,2-9H2,1H3,(H,16,20).
What are the key properties of 7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 376.41 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).