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

C10H16N4O — CID 120973821

IUPAC1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine
SMILESCc1cc(CC/N=C(\N)NC2CC2)on1
InChIInChI=1S/C10H16N4O/c1-7-6-9(15-14-7)4-5-12-10(11)13-8-2-3-8/h6,8H,2-5H2,1H3,(H3,11,12,13)
InChIKeySKJFYPZOJGQJBM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.59
Rot. Bonds4

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

1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine (PubChem CID 120973821) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine
PubChem CID120973821
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine
SMILESCc1cc(CC/N=C(\N)NC2CC2)on1
InChIInChI=1S/C10H16N4O/c1-7-6-9(15-14-7)4-5-12-10(11)13-8-2-3-8/h6,8H,2-5H2,1H3,(H3,11,12,13)
InChIKeySKJFYPZOJGQJBM-UHFFFAOYSA-N
XLogP0.59
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.59
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine (CID 120973821) is 1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine is Cc1cc(CC/N=C(\N)NC2CC2)on1.
What is the InChIKey of 1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine?
The InChIKey is SKJFYPZOJGQJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-6-9(15-14-7)4-5-12-10(11)13-8-2-3-8/h6,8H,2-5H2,1H3,(H3,11,12,13).
What are the key properties of 1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine?
1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine has a molecular weight of 208.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 120973821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).