6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole

C15H12FNO — CID 12562674

IUPAC6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole
SMILESCCc1ccc2c(-c3ccc(F)cc3)noc2c1
InChIInChI=1S/C15H12FNO/c1-2-10-3-8-13-14(9-10)18-17-15(13)11-4-6-12(16)7-5-11/h3-9H,2H2,1H3
InChIKeyVGBNWYUREXAVQI-UHFFFAOYSA-N
MW241.27 g/mol
LogP4.20
Rot. Bonds2

About 6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole

6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole (PubChem CID 12562674) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole
PubChem CID12562674
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole
SMILESCCc1ccc2c(-c3ccc(F)cc3)noc2c1
InChIInChI=1S/C15H12FNO/c1-2-10-3-8-13-14(9-10)18-17-15(13)11-4-6-12(16)7-5-11/h3-9H,2H2,1H3
InChIKeyVGBNWYUREXAVQI-UHFFFAOYSA-N
XLogP4.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole?
The IUPAC name of 6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole (CID 12562674) is 6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole.
What is the SMILES notation for 6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole?
The canonical SMILES for 6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole is CCc1ccc2c(-c3ccc(F)cc3)noc2c1.
What is the InChIKey of 6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole?
The InChIKey is VGBNWYUREXAVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-2-10-3-8-13-14(9-10)18-17-15(13)11-4-6-12(16)7-5-11/h3-9H,2H2,1H3.
What are the key properties of 6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole?
6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole has a molecular weight of 241.27 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(4-fluorophenyl)-1,2-benzoxazole is sourced from PubChem (CID 12562674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).