2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline

C11H11FN2O2 — CID 68554519

IUPAC2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline
SMILESCOc1ccc(NCc2ccon2)c(F)c1
InChIInChI=1S/C11H11FN2O2/c1-15-9-2-3-11(10(12)6-9)13-7-8-4-5-16-14-8/h2-6,13H,7H2,1H3
InChIKeyGWMPVUGFWCWCOT-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.43
Rot. Bonds4

About 2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline

2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline (PubChem CID 68554519) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline
PubChem CID68554519
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline
SMILESCOc1ccc(NCc2ccon2)c(F)c1
InChIInChI=1S/C11H11FN2O2/c1-15-9-2-3-11(10(12)6-9)13-7-8-4-5-16-14-8/h2-6,13H,7H2,1H3
InChIKeyGWMPVUGFWCWCOT-UHFFFAOYSA-N
XLogP2.43
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline?
The IUPAC name of 2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline (CID 68554519) is 2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline is COc1ccc(NCc2ccon2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline?
The InChIKey is GWMPVUGFWCWCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-15-9-2-3-11(10(12)6-9)13-7-8-4-5-16-14-8/h2-6,13H,7H2,1H3.
What are the key properties of 2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline?
2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline has a molecular weight of 222.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(1,2-oxazol-3-ylmethyl)aniline is sourced from PubChem (CID 68554519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).