4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine

C12H14N2O2 — CID 117310978

IUPAC4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOC(C)c1ccc(-c2cnoc2N)cc1
InChIInChI=1S/C12H14N2O2/c1-8(15-2)9-3-5-10(6-4-9)11-7-14-16-12(11)13/h3-8H,13H2,1-2H3
InChIKeyXLFJMLSEPKNDNF-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.63
Rot. Bonds3

About 4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine

4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117310978) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117310978
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOC(C)c1ccc(-c2cnoc2N)cc1
InChIInChI=1S/C12H14N2O2/c1-8(15-2)9-3-5-10(6-4-9)11-7-14-16-12(11)13/h3-8H,13H2,1-2H3
InChIKeyXLFJMLSEPKNDNF-UHFFFAOYSA-N
XLogP2.63
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine (CID 117310978) is 4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine is COC(C)c1ccc(-c2cnoc2N)cc1.
What is the InChIKey of 4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is XLFJMLSEPKNDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(15-2)9-3-5-10(6-4-9)11-7-14-16-12(11)13/h3-8H,13H2,1-2H3.
What are the key properties of 4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine?
4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 218.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117310978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).