4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine

C13H16FN3O2 — CID 63592174

IUPAC4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
SMILESCCOc1cc(NCc2cc(C)no2)c(N)cc1F
InChIInChI=1S/C13H16FN3O2/c1-3-18-13-6-12(11(15)5-10(13)14)16-7-9-4-8(2)17-19-9/h4-6,16H,3,7,15H2,1-2H3
InChIKeyZDHBZYPRNWJJGN-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.72
Rot. Bonds5

About 4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine (PubChem CID 63592174) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
PubChem CID63592174
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
SMILESCCOc1cc(NCc2cc(C)no2)c(N)cc1F
InChIInChI=1S/C13H16FN3O2/c1-3-18-13-6-12(11(15)5-10(13)14)16-7-9-4-8(2)17-19-9/h4-6,16H,3,7,15H2,1-2H3
InChIKeyZDHBZYPRNWJJGN-UHFFFAOYSA-N
XLogP2.72
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine (CID 63592174) is 4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine is CCOc1cc(NCc2cc(C)no2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine?
The InChIKey is ZDHBZYPRNWJJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-3-18-13-6-12(11(15)5-10(13)14)16-7-9-4-8(2)17-19-9/h4-6,16H,3,7,15H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine has a molecular weight of 265.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 63592174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).