tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate

C17H24N6O4 — CID 119104931

IUPACtert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCn1cc(-c2noc(CNC(=O)C3CCCN3C(=O)OC(C)(C)C)n2)cn1
InChIInChI=1S/C17H24N6O4/c1-17(2,3)26-16(25)23-7-5-6-12(23)15(24)18-9-13-20-14(21-27-13)11-8-19-22(4)10-11/h8,10,12H,5-7,9H2,1-4H3,(H,18,24)
InChIKeyFCTRAAJGMIJITO-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.49
Rot. Bonds4

About tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate (PubChem CID 119104931) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
PubChem CID119104931
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC Nametert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCn1cc(-c2noc(CNC(=O)C3CCCN3C(=O)OC(C)(C)C)n2)cn1
InChIInChI=1S/C17H24N6O4/c1-17(2,3)26-16(25)23-7-5-6-12(23)15(24)18-9-13-20-14(21-27-13)11-8-19-22(4)10-11/h8,10,12H,5-7,9H2,1-4H3,(H,18,24)
InChIKeyFCTRAAJGMIJITO-UHFFFAOYSA-N
XLogP1.49
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110632203
tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 51079392
tert-butyl 3-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655486
tert-butyl (2R)-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 94799566
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 110632769
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
tert-butyl (2S)-2-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 94913786
tert-butyl (2S)-2-(2H-tetrazol-5-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 122580563
2,3-dimethyl-2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65195176
tert-butyl 2-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 122262593
tert-butyl (2S)-2-(1,3-benzothiazol-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 55942529

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate (CID 119104931) is tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate is Cn1cc(-c2noc(CNC(=O)C3CCCN3C(=O)OC(C)(C)C)n2)cn1.
What is the InChIKey of tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is FCTRAAJGMIJITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-17(2,3)26-16(25)23-7-5-6-12(23)15(24)18-9-13-20-14(21-27-13)11-8-19-22(4)10-11/h8,10,12H,5-7,9H2,1-4H3,(H,18,24).
What are the key properties of tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 376.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 119104931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).