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

C13H15FN2O3 — CID 19877206

IUPAC5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCN(c1cc2oc(=O)[nH]c2cc1F)C1CCCOC1
InChIInChI=1S/C13H15FN2O3/c1-16(8-3-2-4-18-7-8)11-6-12-10(5-9(11)14)15-13(17)19-12/h5-6,8H,2-4,7H2,1H3,(H,15,17)
InChIKeyVUDDTUDBACFJEZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.88
Rot. Bonds2

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

5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 19877206) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID19877206
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCN(c1cc2oc(=O)[nH]c2cc1F)C1CCCOC1
InChIInChI=1S/C13H15FN2O3/c1-16(8-3-2-4-18-7-8)11-6-12-10(5-9(11)14)15-13(17)19-12/h5-6,8H,2-4,7H2,1H3,(H,15,17)
InChIKeyVUDDTUDBACFJEZ-UHFFFAOYSA-N
XLogP1.88
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one (CID 19877206) is 5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one is CN(c1cc2oc(=O)[nH]c2cc1F)C1CCCOC1.
What is the InChIKey of 5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is VUDDTUDBACFJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-16(8-3-2-4-18-7-8)11-6-12-10(5-9(11)14)15-13(17)19-12/h5-6,8H,2-4,7H2,1H3,(H,15,17).
What are the key properties of 5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one?
5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 266.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[methyl(oxan-3-yl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 19877206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).