5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one

C14H12FN3O2 — CID 83118011

IUPAC5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one
SMILESCC(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(F)cn1
InChIInChI=1S/C14H12FN3O2/c1-8(11-4-2-9(15)7-16-11)17-10-3-5-13-12(6-10)18-14(19)20-13/h2-8,17H,1H3,(H,18,19)
InChIKeySIPQGCFYHZSXBA-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.83
Rot. Bonds3

About 5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one

5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 83118011) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one
PubChem CID83118011
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one
SMILESCC(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(F)cn1
InChIInChI=1S/C14H12FN3O2/c1-8(11-4-2-9(15)7-16-11)17-10-3-5-13-12(6-10)18-14(19)20-13/h2-8,17H,1H3,(H,18,19)
InChIKeySIPQGCFYHZSXBA-UHFFFAOYSA-N
XLogP2.83
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one (CID 83118011) is 5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one is CC(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(F)cn1.
What is the InChIKey of 5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is SIPQGCFYHZSXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-8(11-4-2-9(15)7-16-11)17-10-3-5-13-12(6-10)18-14(19)20-13/h2-8,17H,1H3,(H,18,19).
What are the key properties of 5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one?
5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 273.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 83118011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).