4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine

C12H14N2O3 — CID 95450329

IUPAC4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
SMILESCOCCOc1ccc(-c2coc(N)n2)cc1
InChIInChI=1S/C12H14N2O3/c1-15-6-7-16-10-4-2-9(3-5-10)11-8-17-12(13)14-11/h2-5,8H,6-7H2,1H3,(H2,13,14)
InChIKeyHWDPXUBNEUBVGH-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.95
Rot. Bonds5

About 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine

4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine (PubChem CID 95450329) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
PubChem CID95450329
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
SMILESCOCCOc1ccc(-c2coc(N)n2)cc1
InChIInChI=1S/C12H14N2O3/c1-15-6-7-16-10-4-2-9(3-5-10)11-8-17-12(13)14-11/h2-5,8H,6-7H2,1H3,(H2,13,14)
InChIKeyHWDPXUBNEUBVGH-UHFFFAOYSA-N
XLogP1.95
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.95
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 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine?
The IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine (CID 95450329) is 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine is COCCOc1ccc(-c2coc(N)n2)cc1.
What is the InChIKey of 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine?
The InChIKey is HWDPXUBNEUBVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-6-7-16-10-4-2-9(3-5-10)11-8-17-12(13)14-11/h2-5,8H,6-7H2,1H3,(H2,13,14).
What are the key properties of 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine?
4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine has a molecular weight of 234.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 95450329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).