methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C15H14N4O6S — CID 50955292

IUPACmethyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc(-c3ccno3)o1)C2
InChIInChI=1S/C15H14N4O6S/c1-23-15(20)11-8-10-9-18(6-7-19(10)17-11)26(21,22)14-3-2-12(24-14)13-4-5-16-25-13/h2-5,8H,6-7,9H2,1H3
InChIKeyQKXGDGYSQONLIJ-UHFFFAOYSA-N
MW378.37 g/mol
LogP1.12
Rot. Bonds4

About methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50955292) has the molecular formula C15H14N4O6S and a molecular weight of 378.37 g/mol. Its IUPAC name is methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50955292
Molecular FormulaC15H14N4O6S
Molecular Weight378.37 g/mol
Exact Mass378.06
IUPAC Namemethyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc(-c3ccno3)o1)C2
InChIInChI=1S/C15H14N4O6S/c1-23-15(20)11-8-10-9-18(6-7-19(10)17-11)26(21,22)14-3-2-12(24-14)13-4-5-16-25-13/h2-5,8H,6-7,9H2,1H3
InChIKeyQKXGDGYSQONLIJ-UHFFFAOYSA-N
XLogP1.12
TPSA120.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50955292) is methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc(-c3ccno3)o1)C2.
What is the InChIKey of methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is QKXGDGYSQONLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6S/c1-23-15(20)11-8-10-9-18(6-7-19(10)17-11)26(21,22)14-3-2-12(24-14)13-4-5-16-25-13/h2-5,8H,6-7,9H2,1H3.
What are the key properties of methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 378.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50955292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).