5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine

C13H16N2O3 — CID 117373531

IUPAC5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2cc(N)no2)c1OC(C)C
InChIInChI=1S/C13H16N2O3/c1-8(2)17-13-9(5-4-6-10(13)16-3)11-7-12(14)15-18-11/h4-8H,1-3H3,(H2,14,15)
InChIKeyURSUDWAPLKONMY-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.72
Rot. Bonds4

About 5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine

5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117373531) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
PubChem CID117373531
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2cc(N)no2)c1OC(C)C
InChIInChI=1S/C13H16N2O3/c1-8(2)17-13-9(5-4-6-10(13)16-3)11-7-12(14)15-18-11/h4-8H,1-3H3,(H2,14,15)
InChIKeyURSUDWAPLKONMY-UHFFFAOYSA-N
XLogP2.72
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine (CID 117373531) is 5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine is COc1cccc(-c2cc(N)no2)c1OC(C)C.
What is the InChIKey of 5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is URSUDWAPLKONMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)17-13-9(5-4-6-10(13)16-3)11-7-12(14)15-18-11/h4-8H,1-3H3,(H2,14,15).
What are the key properties of 5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 248.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117373531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).