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

C14H22FN5O4S — CID 91960066

IUPACN-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C14H22FN5O4S/c1-2-25(22,23)19-7-5-18(6-8-19)4-3-16-13(21)12-11(15)14-20(17-12)9-10-24-14/h2-10H2,1H3,(H,16,21)
InChIKeyMPLYALXRQLXZBM-UHFFFAOYSA-N
MW375.43 g/mol
LogP-0.89
Rot. Bonds6

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

N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960066) has the molecular formula C14H22FN5O4S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960066
Molecular FormulaC14H22FN5O4S
Molecular Weight375.43 g/mol
Exact Mass375.14
IUPAC NameN-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1
InChIInChI=1S/C14H22FN5O4S/c1-2-25(22,23)19-7-5-18(6-8-19)4-3-16-13(21)12-11(15)14-20(17-12)9-10-24-14/h2-10H2,1H3,(H,16,21)
InChIKeyMPLYALXRQLXZBM-UHFFFAOYSA-N
XLogP-0.89
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960066) is N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CCS(=O)(=O)N1CCN(CCNC(=O)c2nn3c(c2F)OCC3)CC1.
What is the InChIKey of N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is MPLYALXRQLXZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O4S/c1-2-25(22,23)19-7-5-18(6-8-19)4-3-16-13(21)12-11(15)14-20(17-12)9-10-24-14/h2-10H2,1H3,(H,16,21).
What are the key properties of N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 375.43 g/mol, XLogP of -0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7-fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).