3-(phenoxymethyl)-1,2-oxazol-5-amine

C10H10N2O2 — CID 82075516

IUPAC3-(phenoxymethyl)-1,2-oxazol-5-amine
SMILESNc1cc(COc2ccccc2)no1
InChIInChI=1S/C10H10N2O2/c11-10-6-8(12-14-10)7-13-9-4-2-1-3-5-9/h1-6H,7,11H2
InChIKeyXFUDZAXSZFAGTK-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.84
Rot. Bonds3

About 3-(phenoxymethyl)-1,2-oxazol-5-amine

3-(phenoxymethyl)-1,2-oxazol-5-amine (PubChem CID 82075516) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(phenoxymethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(phenoxymethyl)-1,2-oxazol-5-amine
PubChem CID82075516
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(phenoxymethyl)-1,2-oxazol-5-amine
SMILESNc1cc(COc2ccccc2)no1
InChIInChI=1S/C10H10N2O2/c11-10-6-8(12-14-10)7-13-9-4-2-1-3-5-9/h1-6H,7,11H2
InChIKeyXFUDZAXSZFAGTK-UHFFFAOYSA-N
XLogP1.84
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(phenoxymethyl)-1,2-oxazol-5-amine (CID 82075516) is 3-(phenoxymethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(phenoxymethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(phenoxymethyl)-1,2-oxazol-5-amine is Nc1cc(COc2ccccc2)no1.
What is the InChIKey of 3-(phenoxymethyl)-1,2-oxazol-5-amine?
The InChIKey is XFUDZAXSZFAGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-10-6-8(12-14-10)7-13-9-4-2-1-3-5-9/h1-6H,7,11H2.
What are the key properties of 3-(phenoxymethyl)-1,2-oxazol-5-amine?
3-(phenoxymethyl)-1,2-oxazol-5-amine has a molecular weight of 190.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82075516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).