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

C15H20N4O3 — CID 133482508

IUPACtert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H20N4O3/c1-15(2,3)21-14(20)17-10-9-16-13-18-12(22-19-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyOTRKNQOWWUVMSE-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.67
Rot. Bonds5

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

tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate (PubChem CID 133482508) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
PubChem CID133482508
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nametert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H20N4O3/c1-15(2,3)21-14(20)17-10-9-16-13-18-12(22-19-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyOTRKNQOWWUVMSE-UHFFFAOYSA-N
XLogP2.67
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate (CID 133482508) is tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1noc(-c2ccccc2)n1.
What is the InChIKey of tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate?
The InChIKey is OTRKNQOWWUVMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-15(2,3)21-14(20)17-10-9-16-13-18-12(22-19-13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate has a molecular weight of 304.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate is sourced from PubChem (CID 133482508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).