methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

C15H16N4O6S — CID 3865681

IUPACmethyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(NS(=O)(=O)c3c(C)noc3C)cn2)o1
InChIInChI=1S/C15H16N4O6S/c1-9-14(10(2)25-17-9)26(21,22)18-11-6-16-19(7-11)8-12-4-5-13(24-12)15(20)23-3/h4-7,18H,8H2,1-3H3
InChIKeyRQTBXMIALYYXBU-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.72
Rot. Bonds6

About methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate (PubChem CID 3865681) has the molecular formula C15H16N4O6S and a molecular weight of 380.38 g/mol. Its IUPAC name is methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate
PubChem CID3865681
Molecular FormulaC15H16N4O6S
Molecular Weight380.38 g/mol
Exact Mass380.08
IUPAC Namemethyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(NS(=O)(=O)c3c(C)noc3C)cn2)o1
InChIInChI=1S/C15H16N4O6S/c1-9-14(10(2)25-17-9)26(21,22)18-11-6-16-19(7-11)8-12-4-5-13(24-12)15(20)23-3/h4-7,18H,8H2,1-3H3
InChIKeyRQTBXMIALYYXBU-UHFFFAOYSA-N
XLogP1.72
TPSA129.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate (CID 3865681) is methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2cc(NS(=O)(=O)c3c(C)noc3C)cn2)o1.
What is the InChIKey of methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The InChIKey is RQTBXMIALYYXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O6S/c1-9-14(10(2)25-17-9)26(21,22)18-11-6-16-19(7-11)8-12-4-5-13(24-12)15(20)23-3/h4-7,18H,8H2,1-3H3.
What are the key properties of methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate has a molecular weight of 380.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 3865681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).