1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine

C7H12N6O — CID 3045545

IUPAC1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine
SMILES[H]/N=C(\N)N(/C(N)=N/[H])c1nocc1CC
InChIInChI=1S/C7H12N6O/c1-2-4-3-14-12-5(4)13(6(8)9)7(10)11/h3H,2H2,1H3,(H3,8,9)(H3,10,11)
InChIKeyAGWIJIWHKDETBI-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.17
Rot. Bonds2

About 1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine

1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine (PubChem CID 3045545) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine
PubChem CID3045545
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine
SMILES[H]/N=C(\N)N(/C(N)=N/[H])c1nocc1CC
InChIInChI=1S/C7H12N6O/c1-2-4-3-14-12-5(4)13(6(8)9)7(10)11/h3H,2H2,1H3,(H3,8,9)(H3,10,11)
InChIKeyAGWIJIWHKDETBI-UHFFFAOYSA-N
XLogP-0.17
TPSA129.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine?
The IUPAC name of 1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine (CID 3045545) is 1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine?
The canonical SMILES for 1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine is [H]/N=C(\N)N(/C(N)=N/[H])c1nocc1CC.
What is the InChIKey of 1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine?
The InChIKey is AGWIJIWHKDETBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c1-2-4-3-14-12-5(4)13(6(8)9)7(10)11/h3H,2H2,1H3,(H3,8,9)(H3,10,11).
What are the key properties of 1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine?
1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine has a molecular weight of 196.21 g/mol, XLogP of -0.17, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-1-(4-ethyl-1,2-oxazol-3-yl)guanidine is sourced from PubChem (CID 3045545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).