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

C11H14N4O5S — CID 61018522

IUPACmethyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NS(=O)(=O)c2c(C)noc2C)cn1
InChIInChI=1S/C11H14N4O5S/c1-7-11(8(2)20-13-7)21(17,18)14-9-4-12-15(5-9)6-10(16)19-3/h4-5,14H,6H2,1-3H3
InChIKeyDEDZEHGRDHBKPL-UHFFFAOYSA-N
MW314.32 g/mol
LogP0.46
Rot. Bonds5

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

methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate (PubChem CID 61018522) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate
PubChem CID61018522
Molecular FormulaC11H14N4O5S
Molecular Weight314.32 g/mol
Exact Mass314.07
IUPAC Namemethyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NS(=O)(=O)c2c(C)noc2C)cn1
InChIInChI=1S/C11H14N4O5S/c1-7-11(8(2)20-13-7)21(17,18)14-9-4-12-15(5-9)6-10(16)19-3/h4-5,14H,6H2,1-3H3
InChIKeyDEDZEHGRDHBKPL-UHFFFAOYSA-N
XLogP0.46
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide
CID 4776140
methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
CID 61018002
methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61061458
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309
methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate
CID 61017871
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
methyl 2-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 79166313
methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748048
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate
CID 61017367
methyl 2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 47292002
3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 110727384

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate (CID 61018522) is methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate is COC(=O)Cn1cc(NS(=O)(=O)c2c(C)noc2C)cn1.
What is the InChIKey of methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate?
The InChIKey is DEDZEHGRDHBKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5S/c1-7-11(8(2)20-13-7)21(17,18)14-9-4-12-15(5-9)6-10(16)19-3/h4-5,14H,6H2,1-3H3.
What are the key properties of methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate?
methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate has a molecular weight of 314.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate is sourced from PubChem (CID 61018522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).