4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline

C14H11FN2O — CID 63675808

IUPAC4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline
SMILESCc1cc(N)ccc1-c1nc2ccc(F)cc2o1
InChIInChI=1S/C14H11FN2O/c1-8-6-10(16)3-4-11(8)14-17-12-5-2-9(15)7-13(12)18-14/h2-7H,16H2,1H3
InChIKeyAMUKJMMYZRWWRB-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.52
Rot. Bonds1

About 4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline

4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline (PubChem CID 63675808) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline.

Molecular Properties

Compound Name4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline
PubChem CID63675808
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline
SMILESCc1cc(N)ccc1-c1nc2ccc(F)cc2o1
InChIInChI=1S/C14H11FN2O/c1-8-6-10(16)3-4-11(8)14-17-12-5-2-9(15)7-13(12)18-14/h2-7H,16H2,1H3
InChIKeyAMUKJMMYZRWWRB-UHFFFAOYSA-N
XLogP3.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline?
The IUPAC name of 4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline (CID 63675808) is 4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline.
What is the SMILES notation for 4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline?
The canonical SMILES for 4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline is Cc1cc(N)ccc1-c1nc2ccc(F)cc2o1.
What is the InChIKey of 4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline?
The InChIKey is AMUKJMMYZRWWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-8-6-10(16)3-4-11(8)14-17-12-5-2-9(15)7-13(12)18-14/h2-7H,16H2,1H3.
What are the key properties of 4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline?
4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline has a molecular weight of 242.25 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline is sourced from PubChem (CID 63675808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).