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

C11H20N4O — CID 106388714

IUPAC1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCc1cnc(C(C)N/C(N)=N/CC(C)C)o1
InChIInChI=1S/C11H20N4O/c1-7(2)5-14-11(12)15-9(4)10-13-6-8(3)16-10/h6-7,9H,5H2,1-4H3,(H3,12,14,15)
InChIKeyCAAAANKZNORUIN-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.60
Rot. Bonds4

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

1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 106388714) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine
PubChem CID106388714
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCc1cnc(C(C)N/C(N)=N/CC(C)C)o1
InChIInChI=1S/C11H20N4O/c1-7(2)5-14-11(12)15-9(4)10-13-6-8(3)16-10/h6-7,9H,5H2,1-4H3,(H3,12,14,15)
InChIKeyCAAAANKZNORUIN-UHFFFAOYSA-N
XLogP1.60
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.60
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

3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
N'-hydroxy-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanimidamide
CID 106388648
N'-hydroxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanimidamide
CID 106388635
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 103951387
2-carbamothioyl-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 114182415
cis-(1S,2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106387762
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
CID 106388297
3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 106389285

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine (CID 106388714) is 1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine is Cc1cnc(C(C)N/C(N)=N/CC(C)C)o1.
What is the InChIKey of 1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is CAAAANKZNORUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)5-14-11(12)15-9(4)10-13-6-8(3)16-10/h6-7,9H,5H2,1-4H3,(H3,12,14,15).
What are the key properties of 1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine?
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 224.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 106388714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).