2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine

C10H18N4O — CID 106373219

IUPAC2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine
SMILESCc1cnc(C/N=C(\N)NCC(C)C)o1
InChIInChI=1S/C10H18N4O/c1-7(2)4-13-10(11)14-6-9-12-5-8(3)15-9/h5,7H,4,6H2,1-3H3,(H3,11,13,14)
InChIKeyZAQBDGHVJNTYAR-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.04
Rot. Bonds4

About 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine

2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine (PubChem CID 106373219) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine
PubChem CID106373219
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine
SMILESCc1cnc(C/N=C(\N)NCC(C)C)o1
InChIInChI=1S/C10H18N4O/c1-7(2)4-13-10(11)14-6-9-12-5-8(3)15-9/h5,7H,4,6H2,1-3H3,(H3,11,13,14)
InChIKeyZAQBDGHVJNTYAR-UHFFFAOYSA-N
XLogP1.04
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.04
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

2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111814007
2-[(3,5-dibromo-4-pyridinyl)methyl]-1-(2-methylpropyl)guanidine
CID 122097065
1-(2-methylpropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 110935746
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 79492896
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092
N'-hydroxy-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanimidamide
CID 106372798
1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine
CID 62362032
ethyl 5-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]furan-2-carboxylate
CID 111859603
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111061293

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine (CID 106373219) is 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine is Cc1cnc(C/N=C(\N)NCC(C)C)o1.
What is the InChIKey of 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine?
The InChIKey is ZAQBDGHVJNTYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)4-13-10(11)14-6-9-12-5-8(3)15-9/h5,7H,4,6H2,1-3H3,(H3,11,13,14).
What are the key properties of 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine?
2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine has a molecular weight of 210.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 106373219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).