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

C13H22N4O4 — CID 70969151

IUPACtert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NC(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)
InChIKeyMZDBPJFOFCAVLB-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.78
Rot. Bonds3

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

tert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate (PubChem CID 70969151) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is tert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
PubChem CID70969151
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Nametert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NC(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)
InChIKeyMZDBPJFOFCAVLB-UHFFFAOYSA-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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Related Compounds

CID 11777159
CID 11777159
CID 57463456
CID 57463456
CID 57915571
CID 57915571
CID 58124490
CID 58124490
CID 58124736
CID 58124736
CID 66947843
CID 66947843
CID 66947845
CID 66947845
CID 66948649
CID 66948649
CID 66948658
CID 66948658
CID 66950385
CID 66950385
CID 66950389
CID 66950389
CID 66952512
CID 66952512

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate (CID 70969151) is tert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate is CC(C)(C)OC(=O)NC(c1nnc(C(N)=O)o1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
The InChIKey is MZDBPJFOFCAVLB-UHFFFAOYSA-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).
What are the key properties of tert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
tert-butyl N-[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-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 70969151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).