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

C15H17FN2O3 — CID 67834408

IUPAC6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
SMILESCC1=CCC(CNc2cc3oc(=O)[nH]c3cc2F)C(C)O1
InChIInChI=1S/C15H17FN2O3/c1-8-3-4-10(9(2)20-8)7-17-12-6-14-13(5-11(12)16)18-15(19)21-14/h3,5-6,9-10,17H,4,7H2,1-2H3,(H,18,19)
InChIKeyRTXMLJVBUHNDOO-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.00
Rot. Bonds3

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

6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one (PubChem CID 67834408) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
PubChem CID67834408
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
SMILESCC1=CCC(CNc2cc3oc(=O)[nH]c3cc2F)C(C)O1
InChIInChI=1S/C15H17FN2O3/c1-8-3-4-10(9(2)20-8)7-17-12-6-14-13(5-11(12)16)18-15(19)21-14/h3,5-6,9-10,17H,4,7H2,1-2H3,(H,18,19)
InChIKeyRTXMLJVBUHNDOO-UHFFFAOYSA-N
XLogP3.00
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one (CID 67834408) is 6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one is CC1=CCC(CNc2cc3oc(=O)[nH]c3cc2F)C(C)O1.
What is the InChIKey of 6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one?
The InChIKey is RTXMLJVBUHNDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-8-3-4-10(9(2)20-8)7-17-12-6-14-13(5-11(12)16)18-15(19)21-14/h3,5-6,9-10,17H,4,7H2,1-2H3,(H,18,19).
What are the key properties of 6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one?
6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one has a molecular weight of 292.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethyl-3,4-dihydro-2H-pyran-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 67834408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).