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

C20H28N4O3 — CID 133483879

IUPACtert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate
SMILESCN(c1noc(-c2ccccc2)n1)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)26-19(25)21-15-10-12-16(13-11-15)24(4)18-22-17(27-23-18)14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3,(H,21,25)
InChIKeyBGWLTKFSYIRKSD-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.01
Rot. Bonds4

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

tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate (PubChem CID 133483879) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate
PubChem CID133483879
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Nametert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate
SMILESCN(c1noc(-c2ccccc2)n1)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)26-19(25)21-15-10-12-16(13-11-15)24(4)18-22-17(27-23-18)14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3,(H,21,25)
InChIKeyBGWLTKFSYIRKSD-UHFFFAOYSA-N
XLogP4.01
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]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-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate (CID 133483879) is tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate is CN(c1noc(-c2ccccc2)n1)C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate?
The InChIKey is BGWLTKFSYIRKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)26-19(25)21-15-10-12-16(13-11-15)24(4)18-22-17(27-23-18)14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3,(H,21,25).
What are the key properties of tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate has a molecular weight of 372.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 133483879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).