1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine

C14H24N4O — CID 119153688

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine
SMILESC/N=C(\NCc1ncc(C(C)(C)C)o1)NC1CCC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)11-8-16-12(19-11)9-17-13(15-4)18-10-6-5-7-10/h8,10H,5-7,9H2,1-4H3,(H2,15,17,18)
InChIKeyRERKCRUVZLHTQO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds3

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine (PubChem CID 119153688) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine
PubChem CID119153688
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine
SMILESC/N=C(\NCc1ncc(C(C)(C)C)o1)NC1CCC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)11-8-16-12(19-11)9-17-13(15-4)18-10-6-5-7-10/h8,10H,5-7,9H2,1-4H3,(H2,15,17,18)
InChIKeyRERKCRUVZLHTQO-UHFFFAOYSA-N
XLogP2.19
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
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-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111795711
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(2-cyanocyclopentyl)-2-methylguanidine
CID 119160515
4-[[N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111593407
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[2-[cyclohexyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111593062
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111593393
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111595425
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111595209
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111594291
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111595275
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111594188
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111595266
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111593373

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine (CID 119153688) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine is C/N=C(\NCc1ncc(C(C)(C)C)o1)NC1CCC1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine?
The InChIKey is RERKCRUVZLHTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)11-8-16-12(19-11)9-17-13(15-4)18-10-6-5-7-10/h8,10H,5-7,9H2,1-4H3,(H2,15,17,18).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine has a molecular weight of 264.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine is sourced from PubChem (CID 119153688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).