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

C15H20N2O3 — CID 66198944

IUPAC5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCCOCCc1onc(N)c1-c1cc(C)ccc1OC
InChIInChI=1S/C15H20N2O3/c1-4-19-8-7-13-14(15(16)17-20-13)11-9-10(2)5-6-12(11)18-3/h5-6,9H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeySBDIWVSQJHJMKH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.82
Rot. Bonds6

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

5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198944) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198944
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCCOCCc1onc(N)c1-c1cc(C)ccc1OC
InChIInChI=1S/C15H20N2O3/c1-4-19-8-7-13-14(15(16)17-20-13)11-9-10(2)5-6-12(11)18-3/h5-6,9H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeySBDIWVSQJHJMKH-UHFFFAOYSA-N
XLogP2.82
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (CID 66198944) is 5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is CCOCCc1onc(N)c1-c1cc(C)ccc1OC.
What is the InChIKey of 5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is SBDIWVSQJHJMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-19-8-7-13-14(15(16)17-20-13)11-9-10(2)5-6-12(11)18-3/h5-6,9H,4,7-8H2,1-3H3,(H2,16,17).
What are the key properties of 5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 276.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).