1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine

C13H22N4O — CID 122082788

IUPAC1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine
SMILESCCCc1nc(C)c(CN/C(=N\C)NC2CC2)o1
InChIInChI=1S/C13H22N4O/c1-4-5-12-16-9(2)11(18-12)8-15-13(14-3)17-10-6-7-10/h10H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyOYCOWRBWFQYDDL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.76
Rot. Bonds5

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

1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine (PubChem CID 122082788) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine
PubChem CID122082788
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine
SMILESCCCc1nc(C)c(CN/C(=N\C)NC2CC2)o1
InChIInChI=1S/C13H22N4O/c1-4-5-12-16-9(2)11(18-12)8-15-13(14-3)17-10-6-7-10/h10H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyOYCOWRBWFQYDDL-UHFFFAOYSA-N
XLogP1.76
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.76
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-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111774239
1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119114480
2-methyl-1-(4-methylcyclohexyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111256863
1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119114659
2-methyl-1-(4-methylcyclohexyl)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111794782
1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 120602893
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-cyclobutyl-2-methylguanidine
CID 119153688
1-cyclobutyl-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 119154470
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-propylguanidine
CID 111226767
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-ethylcyclohexyl)methyl]-2-methylguanidine;hydroiodide
CID 109431216
1-[(4-butylcyclohexyl)methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 109428534
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-cyclopentyl-2-methylguanidine;hydroiodide
CID 111790977

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine (CID 122082788) is 1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine is CCCc1nc(C)c(CN/C(=N\C)NC2CC2)o1.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine?
The InChIKey is OYCOWRBWFQYDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-12-16-9(2)11(18-12)8-15-13(14-3)17-10-6-7-10/h10H,4-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine?
1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine has a molecular weight of 250.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]guanidine is sourced from PubChem (CID 122082788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).