1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine

C15H26N4O — CID 111975463

IUPAC1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine
SMILESCc1noc(C)c1CCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C15H26N4O/c1-11-14(12(2)20-19-11)9-6-10-17-15(16)18-13-7-4-3-5-8-13/h13H,3-10H2,1-2H3,(H3,16,17,18)
InChIKeyRQBQXHLEYSFWSQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.46
Rot. Bonds5

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

1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine (PubChem CID 111975463) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine
PubChem CID111975463
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine
SMILESCc1noc(C)c1CCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C15H26N4O/c1-11-14(12(2)20-19-11)9-6-10-17-15(16)18-13-7-4-3-5-8-13/h13H,3-10H2,1-2H3,(H3,16,17,18)
InChIKeyRQBQXHLEYSFWSQ-UHFFFAOYSA-N
XLogP2.46
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
CID 119147204
1-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine;hydroiodide
CID 111975072
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-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
CID 122096350
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068795
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111807297
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111975400
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine (CID 111975463) is 1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine is Cc1noc(C)c1CCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine?
The InChIKey is RQBQXHLEYSFWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-14(12(2)20-19-11)9-6-10-17-15(16)18-13-7-4-3-5-8-13/h13H,3-10H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine?
1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine has a molecular weight of 278.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine is sourced from PubChem (CID 111975463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).