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

C14H24N4O2 — CID 122081866

IUPAC2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESCc1noc(C)c1C(C)C/N=C(\N)NCC1CCCO1
InChIInChI=1S/C14H24N4O2/c1-9(13-10(2)18-20-11(13)3)7-16-14(15)17-8-12-5-4-6-19-12/h9,12H,4-8H2,1-3H3,(H3,15,16,17)
InChIKeyKCDJCYCPOYMTBM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.48
Rot. Bonds5

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

2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine (PubChem CID 122081866) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine
PubChem CID122081866
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine
SMILESCc1noc(C)c1C(C)C/N=C(\N)NCC1CCCO1
InChIInChI=1S/C14H24N4O2/c1-9(13-10(2)18-20-11(13)3)7-16-14(15)17-8-12-5-4-6-19-12/h9,12H,4-8H2,1-3H3,(H3,15,16,17)
InChIKeyKCDJCYCPOYMTBM-UHFFFAOYSA-N
XLogP1.48
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119117160
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110918021
2-[(4-methylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 95292400
2-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 122125639
2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 111969230
2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110924771
2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine
CID 111335963
2-(oxan-4-ylmethyl)-1-(oxolan-2-ylmethyl)guanidine
CID 119118912
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 71867396
2-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 120913497
1-(cyclobutylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 119120511
2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 110913403

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine (CID 122081866) is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine is Cc1noc(C)c1C(C)C/N=C(\N)NCC1CCCO1.
What is the InChIKey of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine?
The InChIKey is KCDJCYCPOYMTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(13-10(2)18-20-11(13)3)7-16-14(15)17-8-12-5-4-6-19-12/h9,12H,4-8H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine?
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine has a molecular weight of 280.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 122081866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).