5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine

C12H14N2O3 — CID 117340239

IUPAC5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
SMILESCOCc1cccc(OC)c1-c1cc(N)no1
InChIInChI=1S/C12H14N2O3/c1-15-7-8-4-3-5-9(16-2)12(8)10-6-11(13)14-17-10/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyUHBIGWYDAHLPBC-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.08
Rot. Bonds4

About 5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine

5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117340239) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID117340239
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
SMILESCOCc1cccc(OC)c1-c1cc(N)no1
InChIInChI=1S/C12H14N2O3/c1-15-7-8-4-3-5-9(16-2)12(8)10-6-11(13)14-17-10/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyUHBIGWYDAHLPBC-UHFFFAOYSA-N
XLogP2.08
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine (CID 117340239) is 5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine is COCc1cccc(OC)c1-c1cc(N)no1.
What is the InChIKey of 5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is UHBIGWYDAHLPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-7-8-4-3-5-9(16-2)12(8)10-6-11(13)14-17-10/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of 5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 234.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117340239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).