tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate

C19H24N4O4 — CID 98042290

IUPACtert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)no1
InChIInChI=1S/C19H24N4O4/c1-19(2,3)26-18(25)20-10-15-21-17(22-27-15)14-9-16(24)23(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,25)/t14-/m0/s1
InChIKeyLGTCBHLITRQOEV-AWEZNQCLSA-N
MW372.43 g/mol
LogP2.61
Rot. Bonds5

About tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate

tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate (PubChem CID 98042290) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
PubChem CID98042290
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nametert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)no1
InChIInChI=1S/C19H24N4O4/c1-19(2,3)26-18(25)20-10-15-21-17(22-27-15)14-9-16(24)23(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,25)/t14-/m0/s1
InChIKeyLGTCBHLITRQOEV-AWEZNQCLSA-N
XLogP2.61
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate (CID 98042290) is tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)no1.
What is the InChIKey of tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The InChIKey is LGTCBHLITRQOEV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-19(2,3)26-18(25)20-10-15-21-17(22-27-15)14-9-16(24)23(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,25)/t14-/m0/s1.
What are the key properties of tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate?
tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate has a molecular weight of 372.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 98042290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).