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

C18H30N4O4 — CID 110632769

IUPACtert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)NCCc1noc(C(C)(C)C)n1
InChIInChI=1S/C18H30N4O4/c1-17(2,3)15-20-13(21-26-15)9-10-19-14(23)12-8-7-11-22(12)16(24)25-18(4,5)6/h12H,7-11H2,1-6H3,(H,19,23)
InChIKeyDJPUFLFDHTZWRY-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.43
Rot. Bonds4

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

tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate (PubChem CID 110632769) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
PubChem CID110632769
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Nametert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)NCCc1noc(C(C)(C)C)n1
InChIInChI=1S/C18H30N4O4/c1-17(2,3)15-20-13(21-26-15)9-10-19-14(23)12-8-7-11-22(12)16(24)25-18(4,5)6/h12H,7-11H2,1-6H3,(H,19,23)
InChIKeyDJPUFLFDHTZWRY-UHFFFAOYSA-N
XLogP2.43
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S)-2-[2-(methylamino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 102225547
tert-butyl (2S)-2-[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769436
tert-butyl (2S)-2-[(2R)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 99785176
tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480
tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110632719
tert-butyl (2S)-2-(4-aminobutylcarbamoyl)pyrrolidine-1-carboxylate
CID 102225545
tert-butyl 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110632203
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
tert-butyl (2R)-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 94799566
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate (CID 110632769) is tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)NCCc1noc(C(C)(C)C)n1.
What is the InChIKey of tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is DJPUFLFDHTZWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-17(2,3)15-20-13(21-26-15)9-10-19-14(23)12-8-7-11-22(12)16(24)25-18(4,5)6/h12H,7-11H2,1-6H3,(H,19,23).
What are the key properties of tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 110632769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).