methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate

C12H15N5O4 — CID 61017367

IUPACmethyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)CCc2nc(C)no2)cn1
InChIInChI=1S/C12H15N5O4/c1-8-14-11(21-16-8)4-3-10(18)15-9-5-13-17(6-9)7-12(19)20-2/h5-6H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyGSFWIOIATMOZBP-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.32
Rot. Bonds6

About methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate

methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate (PubChem CID 61017367) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate
PubChem CID61017367
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Namemethyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)CCc2nc(C)no2)cn1
InChIInChI=1S/C12H15N5O4/c1-8-14-11(21-16-8)4-3-10(18)15-9-5-13-17(6-9)7-12(19)20-2/h5-6H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyGSFWIOIATMOZBP-UHFFFAOYSA-N
XLogP0.32
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate with MolForge

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Related Compounds

methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
N-(3,5-dimethylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917576
methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate
CID 61017975
methyl 2-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 79166313
6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid
CID 61319613
N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917572
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid
CID 43351280
N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113232050
methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61018522
methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
CID 61018002
2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid
CID 120697646
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate (CID 61017367) is methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)CCc2nc(C)no2)cn1.
What is the InChIKey of methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate?
The InChIKey is GSFWIOIATMOZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-8-14-11(21-16-8)4-3-10(18)15-9-5-13-17(6-9)7-12(19)20-2/h5-6H,3-4,7H2,1-2H3,(H,15,18).
What are the key properties of methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate?
methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate has a molecular weight of 293.28 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]acetate is sourced from PubChem (CID 61017367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).