2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol

C14H12FN3O2 — CID 24780958

IUPAC2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(-c3ccc(NCCF)nc3)oc2c1
InChIInChI=1S/C14H12FN3O2/c15-5-6-16-13-4-1-9(8-17-13)14-18-11-3-2-10(19)7-12(11)20-14/h1-4,7-8,19H,5-6H2,(H,16,17)
InChIKeyWBQUBKGXZVXILO-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.98
Rot. Bonds4

About 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol

2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol (PubChem CID 24780958) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol
PubChem CID24780958
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(-c3ccc(NCCF)nc3)oc2c1
InChIInChI=1S/C14H12FN3O2/c15-5-6-16-13-4-1-9(8-17-13)14-18-11-3-2-10(19)7-12(11)20-14/h1-4,7-8,19H,5-6H2,(H,16,17)
InChIKeyWBQUBKGXZVXILO-UHFFFAOYSA-N
XLogP2.98
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol?
The IUPAC name of 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol (CID 24780958) is 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol is Oc1ccc2nc(-c3ccc(NCCF)nc3)oc2c1.
What is the InChIKey of 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol?
The InChIKey is WBQUBKGXZVXILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-5-6-16-13-4-1-9(8-17-13)14-18-11-3-2-10(19)7-12(11)20-14/h1-4,7-8,19H,5-6H2,(H,16,17).
What are the key properties of 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol?
2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol has a molecular weight of 273.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluoroethylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol is sourced from PubChem (CID 24780958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).