4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline

C14H11FN2O2 — CID 114417599

IUPAC4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
SMILESCc1cc(Oc2nc3ccccc3o2)c(F)cc1N
InChIInChI=1S/C14H11FN2O2/c1-8-6-13(9(15)7-10(8)16)19-14-17-11-4-2-3-5-12(11)18-14/h2-7H,16H2,1H3
InChIKeyGIOVKLDLFWNKNV-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.65
Rot. Bonds2

About 4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline

4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline (PubChem CID 114417599) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
PubChem CID114417599
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
SMILESCc1cc(Oc2nc3ccccc3o2)c(F)cc1N
InChIInChI=1S/C14H11FN2O2/c1-8-6-13(9(15)7-10(8)16)19-14-17-11-4-2-3-5-12(11)18-14/h2-7H,16H2,1H3
InChIKeyGIOVKLDLFWNKNV-UHFFFAOYSA-N
XLogP3.65
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline?
The IUPAC name of 4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline (CID 114417599) is 4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline?
The canonical SMILES for 4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline is Cc1cc(Oc2nc3ccccc3o2)c(F)cc1N.
What is the InChIKey of 4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline?
The InChIKey is GIOVKLDLFWNKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-8-6-13(9(15)7-10(8)16)19-14-17-11-4-2-3-5-12(11)18-14/h2-7H,16H2,1H3.
What are the key properties of 4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline?
4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline has a molecular weight of 258.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline is sourced from PubChem (CID 114417599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).