(3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine

C12H14N2O2 — CID 22661876

IUPAC(3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine
SMILESCc1cc(COC(N)c2ccccc2)on1
InChIInChI=1S/C12H14N2O2/c1-9-7-11(16-14-9)8-15-12(13)10-5-3-2-4-6-10/h2-7,12H,8,13H2,1H3
InChIKeyPFDCYXOAMRFZNL-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.16
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine

(3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine (PubChem CID 22661876) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine
PubChem CID22661876
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine
SMILESCc1cc(COC(N)c2ccccc2)on1
InChIInChI=1S/C12H14N2O2/c1-9-7-11(16-14-9)8-15-12(13)10-5-3-2-4-6-10/h2-7,12H,8,13H2,1H3
InChIKeyPFDCYXOAMRFZNL-UHFFFAOYSA-N
XLogP2.16
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine (CID 22661876) is (3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine is Cc1cc(COC(N)c2ccccc2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine?
The InChIKey is PFDCYXOAMRFZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-7-11(16-14-9)8-15-12(13)10-5-3-2-4-6-10/h2-7,12H,8,13H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine?
(3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine has a molecular weight of 218.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methoxy-phenylmethanamine is sourced from PubChem (CID 22661876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).