N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide

C19H27IN4O — CID 109452932

IUPACN',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1coc(-c2ccccc2)n1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C19H26N4O.HI/c1-18(2)13-23(19(18,3)4)17(20-5)21-11-15-12-24-16(22-15)14-9-7-6-8-10-14;/h6-10,12H,11,13H2,1-5H3,(H,20,21);1H
InChIKeyDJGPGCKFDOZVBS-UHFFFAOYSA-N
MW454.36 g/mol
LogP4.16
Rot. Bonds3

About N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide

N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide (PubChem CID 109452932) has the molecular formula C19H27IN4O and a molecular weight of 454.36 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
PubChem CID109452932
Molecular FormulaC19H27IN4O
Molecular Weight454.36 g/mol
Exact Mass454.12
IUPAC NameN',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1coc(-c2ccccc2)n1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C19H26N4O.HI/c1-18(2)13-23(19(18,3)4)17(20-5)21-11-15-12-24-16(22-15)14-9-7-6-8-10-14;/h6-10,12H,11,13H2,1-5H3,(H,20,21);1H
InChIKeyDJGPGCKFDOZVBS-UHFFFAOYSA-N
XLogP4.16
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',2,2,3,3-pentamethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109451832
1-ethyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552463
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111552389
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111553425
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111553621
N',2,2,3,3-pentamethyl-N-[(2-methylpyrazol-3-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453024
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111553874
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111552054
2-methyl-1-(1,2-oxazol-3-ylmethyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 75425227
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451734
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552118
1-cyclohexyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552387

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide (CID 109452932) is N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1coc(-c2ccccc2)n1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The InChIKey is DJGPGCKFDOZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.HI/c1-18(2)13-23(19(18,3)4)17(20-5)21-11-15-12-24-16(22-15)14-9-7-6-8-10-14;/h6-10,12H,11,13H2,1-5H3,(H,20,21);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide has a molecular weight of 454.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).