6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one

C15H19FN2O3 — CID 15675991

IUPAC6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
SMILESCC1CCC(CNc2cc3oc(=O)[nH]c3cc2F)C(C)O1
InChIInChI=1S/C15H19FN2O3/c1-8-3-4-10(9(2)20-8)7-17-12-6-14-13(5-11(12)16)18-15(19)21-14/h5-6,8-10,17H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyKOBHFFSNWQYUGH-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.88
Rot. Bonds3

About 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one

6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one (PubChem CID 15675991) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
PubChem CID15675991
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
SMILESCC1CCC(CNc2cc3oc(=O)[nH]c3cc2F)C(C)O1
InChIInChI=1S/C15H19FN2O3/c1-8-3-4-10(9(2)20-8)7-17-12-6-14-13(5-11(12)16)18-15(19)21-14/h5-6,8-10,17H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyKOBHFFSNWQYUGH-UHFFFAOYSA-N
XLogP2.88
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-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 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one (CID 15675991) is 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one is CC1CCC(CNc2cc3oc(=O)[nH]c3cc2F)C(C)O1.
What is the InChIKey of 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one?
The InChIKey is KOBHFFSNWQYUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-8-3-4-10(9(2)20-8)7-17-12-6-14-13(5-11(12)16)18-15(19)21-14/h5-6,8-10,17H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one?
6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one has a molecular weight of 294.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethyloxan-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 15675991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).