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

C15H24FN5O5S — CID 91960079

IUPAC7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCOCCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C15H24FN5O5S/c1-25-10-11-27(23,24)20-6-4-19(5-7-20)3-2-17-14(22)13-12(16)15-21(18-13)8-9-26-15/h2-11H2,1H3,(H,17,22)
InChIKeyJCMJHBQKHALGOZ-UHFFFAOYSA-N
MW405.45 g/mol
LogP-1.26
Rot. Bonds8

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

7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960079) has the molecular formula C15H24FN5O5S and a molecular weight of 405.45 g/mol. Its IUPAC name is 7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960079
Molecular FormulaC15H24FN5O5S
Molecular Weight405.45 g/mol
Exact Mass405.15
IUPAC Name7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCOCCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C15H24FN5O5S/c1-25-10-11-27(23,24)20-6-4-19(5-7-20)3-2-17-14(22)13-12(16)15-21(18-13)8-9-26-15/h2-11H2,1H3,(H,17,22)
InChIKeyJCMJHBQKHALGOZ-UHFFFAOYSA-N
XLogP-1.26
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960079) is 7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-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-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is COCCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1.
What is the InChIKey of 7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is JCMJHBQKHALGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O5S/c1-25-10-11-27(23,24)20-6-4-19(5-7-20)3-2-17-14(22)13-12(16)15-21(18-13)8-9-26-15/h2-11H2,1H3,(H,17,22).
What are the key properties of 7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 405.45 g/mol, XLogP of -1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).