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

C16H29N3O3 — CID 91541939

IUPACtert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(Cc1nnc(C(C)(C)C)o1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H29N3O3/c1-10(2)11(17-14(20)22-16(6,7)8)9-12-18-19-13(21-12)15(3,4)5/h10-11H,9H2,1-8H3,(H,17,20)
InChIKeyNBCAUUAIIXZFSZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.46
Rot. Bonds4

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

tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate (PubChem CID 91541939) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate
PubChem CID91541939
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(Cc1nnc(C(C)(C)C)o1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H29N3O3/c1-10(2)11(17-14(20)22-16(6,7)8)9-12-18-19-13(21-12)15(3,4)5/h10-11H,9H2,1-8H3,(H,17,20)
InChIKeyNBCAUUAIIXZFSZ-UHFFFAOYSA-N
XLogP3.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate (CID 91541939) is tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate is CC(C)C(Cc1nnc(C(C)(C)C)o1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate?
The InChIKey is NBCAUUAIIXZFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-10(2)11(17-14(20)22-16(6,7)8)9-12-18-19-13(21-12)15(3,4)5/h10-11H,9H2,1-8H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate?
tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate has a molecular weight of 311.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 91541939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).