tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate

C13H22N4O4 — CID 58124736

IUPACtert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nnc(C(N)=O)o1)C(C)(C)C
InChIInChI=1S/C13H22N4O4/c1-12(2,3)7(15-11(19)21-13(4,5)6)9-16-17-10(20-9)8(14)18/h7H,1-6H3,(H2,14,18)(H,15,19)/t7-/m1/s1
InChIKeyMZDBPJFOFCAVLB-SSDOTTSWSA-N
MW298.34 g/mol
LogP1.78
Rot. Bonds3

About tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate

tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate (PubChem CID 58124736) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
PubChem CID58124736
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Nametert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nnc(C(N)=O)o1)C(C)(C)C
InChIInChI=1S/C13H22N4O4/c1-12(2,3)7(15-11(19)21-13(4,5)6)9-16-17-10(20-9)8(14)18/h7H,1-6H3,(H2,14,18)(H,15,19)/t7-/m1/s1
InChIKeyMZDBPJFOFCAVLB-SSDOTTSWSA-N
XLogP1.78
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate (CID 58124736) is tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1nnc(C(N)=O)o1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
The InChIKey is MZDBPJFOFCAVLB-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-12(2,3)7(15-11(19)21-13(4,5)6)9-16-17-10(20-9)8(14)18/h7H,1-6H3,(H2,14,18)(H,15,19)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 58124736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).