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

C15H26N4O3 — CID 103720143

IUPACtert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate
SMILESCc1noc(CNC2CCCC(NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H26N4O3/c1-10-17-13(22-19-10)9-16-11-6-5-7-12(8-11)18-14(20)21-15(2,3)4/h11-12,16H,5-9H2,1-4H3,(H,18,20)
InChIKeyJGOOOSJSLZYTEZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.30
Rot. Bonds4

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

tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate (PubChem CID 103720143) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate
PubChem CID103720143
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate
SMILESCc1noc(CNC2CCCC(NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H26N4O3/c1-10-17-13(22-19-10)9-16-11-6-5-7-12(8-11)18-14(20)21-15(2,3)4/h11-12,16H,5-9H2,1-4H3,(H,18,20)
InChIKeyJGOOOSJSLZYTEZ-UHFFFAOYSA-N
XLogP2.30
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate (CID 103720143) is tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate is Cc1noc(CNC2CCCC(NC(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate?
The InChIKey is JGOOOSJSLZYTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-10-17-13(22-19-10)9-16-11-6-5-7-12(8-11)18-14(20)21-15(2,3)4/h11-12,16H,5-9H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103720143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).