6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one

C13H13FN2O3 — CID 19911584

IUPAC6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one
SMILESCN(c1cc2oc(=O)[nH]c2cc1F)C1CCC=CO1
InChIInChI=1S/C13H13FN2O3/c1-16(12-4-2-3-5-18-12)10-7-11-9(6-8(10)14)15-13(17)19-11/h3,5-7,12H,2,4H2,1H3,(H,15,17)
InChIKeyFDFGOHZBLQOLQA-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.35
Rot. Bonds2

About 6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one

6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one (PubChem CID 19911584) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one
PubChem CID19911584
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one
SMILESCN(c1cc2oc(=O)[nH]c2cc1F)C1CCC=CO1
InChIInChI=1S/C13H13FN2O3/c1-16(12-4-2-3-5-18-12)10-7-11-9(6-8(10)14)15-13(17)19-11/h3,5-7,12H,2,4H2,1H3,(H,15,17)
InChIKeyFDFGOHZBLQOLQA-UHFFFAOYSA-N
XLogP2.35
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one (CID 19911584) is 6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one is CN(c1cc2oc(=O)[nH]c2cc1F)C1CCC=CO1.
What is the InChIKey of 6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one?
The InChIKey is FDFGOHZBLQOLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-16(12-4-2-3-5-18-12)10-7-11-9(6-8(10)14)15-13(17)19-11/h3,5-7,12H,2,4H2,1H3,(H,15,17).
What are the key properties of 6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one?
6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one has a molecular weight of 264.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,4-dihydro-2H-pyran-2-yl(methyl)amino]-5-fluoro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 19911584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).