5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine

C11H20N2O2 — CID 66198062

IUPAC5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCCOCCc1onc(N)c1CC(C)C
InChIInChI=1S/C11H20N2O2/c1-4-14-6-5-10-9(7-8(2)3)11(12)13-15-10/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyPROPCTYSAZTYQW-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.03
Rot. Bonds6

About 5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine

5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66198062) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66198062
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCCOCCc1onc(N)c1CC(C)C
InChIInChI=1S/C11H20N2O2/c1-4-14-6-5-10-9(7-8(2)3)11(12)13-15-10/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyPROPCTYSAZTYQW-UHFFFAOYSA-N
XLogP2.03
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66198062) is 5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine is CCOCCc1onc(N)c1CC(C)C.
What is the InChIKey of 5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is PROPCTYSAZTYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-14-6-5-10-9(7-8(2)3)11(12)13-15-10/h8H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 212.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).