N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide

C13H22N4O2 — CID 111813984

IUPACN'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide
SMILESCC(C)(C)c1cnc(C/N=C(\N)N2CCOCC2)o1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)10-8-15-11(19-10)9-16-12(14)17-4-6-18-7-5-17/h8H,4-7,9H2,1-3H3,(H2,14,16)
InChIKeyDXEHXDSDFZQTBV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.12
Rot. Bonds2

About N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide

N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide (PubChem CID 111813984) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide
PubChem CID111813984
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide
SMILESCC(C)(C)c1cnc(C/N=C(\N)N2CCOCC2)o1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)10-8-15-11(19-10)9-16-12(14)17-4-6-18-7-5-17/h8H,4-7,9H2,1-3H3,(H2,14,16)
InChIKeyDXEHXDSDFZQTBV-UHFFFAOYSA-N
XLogP1.12
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide
CID 159083595
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120762698
N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119988
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111595813
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031291
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111100700
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111814007
N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120913510
N'-[(2-ethyl-1,3-oxazol-5-yl)methyl]azepane-1-carboximidamide
CID 122097891

Frequently Asked Questions

What is the IUPAC name of N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide (CID 111813984) is N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide is CC(C)(C)c1cnc(C/N=C(\N)N2CCOCC2)o1.
What is the InChIKey of N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is DXEHXDSDFZQTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)10-8-15-11(19-10)9-16-12(14)17-4-6-18-7-5-17/h8H,4-7,9H2,1-3H3,(H2,14,16).
What are the key properties of N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide?
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 266.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111813984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).