tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C18H24N6O5 — CID 121483863

IUPACtert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCc1noc(C2CN(c3cnn4c3CN(C(=O)OC(C)(C)C)C(C)C4)C(=O)O2)n1
InChIInChI=1S/C18H24N6O5/c1-10-7-24-13(8-22(10)17(26)28-18(3,4)5)12(6-19-24)23-9-14(27-16(23)25)15-20-11(2)21-29-15/h6,10,14H,7-9H2,1-5H3
InChIKeyKGONGNNQJFWRCL-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.41
Rot. Bonds2

About tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 121483863) has the molecular formula C18H24N6O5 and a molecular weight of 404.43 g/mol. Its IUPAC name is tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID121483863
Molecular FormulaC18H24N6O5
Molecular Weight404.43 g/mol
Exact Mass404.18
IUPAC Nametert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCc1noc(C2CN(c3cnn4c3CN(C(=O)OC(C)(C)C)C(C)C4)C(=O)O2)n1
InChIInChI=1S/C18H24N6O5/c1-10-7-24-13(8-22(10)17(26)28-18(3,4)5)12(6-19-24)23-9-14(27-16(23)25)15-20-11(2)21-29-15/h6,10,14H,7-9H2,1-5H3
InChIKeyKGONGNNQJFWRCL-UHFFFAOYSA-N
XLogP2.41
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (6S)-3-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484393
tert-butyl 6-methyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 145121306
tert-butyl (6S)-6-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 131749255
tert-butyl 6-methyl-3-[2-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484158
tert-butyl (6S)-3-(4-acetamido-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122420056
tert-butyl (6S)-3-[4-(hydroxymethyl)-4-methyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121483890
tert-butyl (6S)-3-[(4S)-4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 135378949
4-[tert-butyl(dimethyl)silyl]oxy-1-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 145440435
tert-butyl (6S)-6-methyl-3-[2-oxo-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419990
tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121483852
tert-butyl (6S)-3-(3-hydroxy-2-oxo-4-phenylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122420109
tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 145440386

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 121483863) is tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is Cc1noc(C2CN(c3cnn4c3CN(C(=O)OC(C)(C)C)C(C)C4)C(=O)O2)n1.
What is the InChIKey of tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is KGONGNNQJFWRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O5/c1-10-7-24-13(8-22(10)17(26)28-18(3,4)5)12(6-19-24)23-9-14(27-16(23)25)15-20-11(2)21-29-15/h6,10,14H,7-9H2,1-5H3.
What are the key properties of tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 404.43 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 121483863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).