1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine

C14H24N4O — CID 122096350

IUPAC1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
SMILESCCc1noc(C)c1C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C14H24N4O/c1-3-13-12(10(2)19-18-13)9-16-14(15)17-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H3,15,16,17)
InChIKeyHJIUJIWUWCZUQJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds4

About 1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine

1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine (PubChem CID 122096350) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
PubChem CID122096350
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
SMILESCCc1noc(C)c1C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C14H24N4O/c1-3-13-12(10(2)19-18-13)9-16-14(15)17-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H3,15,16,17)
InChIKeyHJIUJIWUWCZUQJ-UHFFFAOYSA-N
XLogP2.28
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119120532
1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine
CID 111975463
1-tert-butyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
CID 122096348
1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
CID 119147204
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
1-cyclohexyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120615
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111065001
1-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine;hydroiodide
CID 111975072
1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
CID 122082759
1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111817540

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine (CID 122096350) is 1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine is CCc1noc(C)c1C/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine?
The InChIKey is HJIUJIWUWCZUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-13-12(10(2)19-18-13)9-16-14(15)17-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine?
1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine has a molecular weight of 264.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine is sourced from PubChem (CID 122096350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).