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

C14H26N4O — CID 119116766

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine
SMILESCCN/C(=N\Cc1c(C)noc1C)NC(C)C(C)C
InChIInChI=1S/C14H26N4O/c1-7-15-14(17-10(4)9(2)3)16-8-13-11(5)18-19-12(13)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17)
InChIKeyCANQJZKUMSQUEB-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.39
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine (PubChem CID 119116766) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine
PubChem CID119116766
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine
SMILESCCN/C(=N\Cc1c(C)noc1C)NC(C)C(C)C
InChIInChI=1S/C14H26N4O/c1-7-15-14(17-10(4)9(2)3)16-8-13-11(5)18-19-12(13)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17)
InChIKeyCANQJZKUMSQUEB-UHFFFAOYSA-N
XLogP2.39
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.39
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-[1-(2,4-dichlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylguanidine;hydroiodide
CID 119132129
1-[5-(diethylamino)pentan-2-yl]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine
CID 111759745
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 119120494
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78989893
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-propylguanidine
CID 111763431
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109431910
1-ethyl-3-(3-methylbutan-2-yl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111509892
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111764426
methyl 5-[[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]methyl]-2-methylfuran-3-carboxylate
CID 111002445
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-[3-(4-propan-2-ylphenyl)propyl]guanidine
CID 111979839
1-butan-2-yl-3-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 110946168
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 119140252

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine (CID 119116766) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine is CCN/C(=N\Cc1c(C)noc1C)NC(C)C(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine?
The InChIKey is CANQJZKUMSQUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-7-15-14(17-10(4)9(2)3)16-8-13-11(5)18-19-12(13)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine has a molecular weight of 266.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine is sourced from PubChem (CID 119116766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).