3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one

C16H16F2N2O6 — CID 90284194

IUPAC3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one
SMILESCO[C@@H](C)C1COC(=O)N1c1noc2c(F)c(F)c(C3OCCO3)cc12
InChIInChI=1S/C16H16F2N2O6/c1-7(22-2)10-6-25-16(21)20(10)14-9-5-8(15-23-3-4-24-15)11(17)12(18)13(9)26-19-14/h5,7,10,15H,3-4,6H2,1-2H3/t7-,10?/m0/s1
InChIKeyHWWOWSARQJGACB-BYDSUWOYSA-N
MW370.31 g/mol
LogP2.51
Rot. Bonds4

About 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one

3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one (PubChem CID 90284194) has the molecular formula C16H16F2N2O6 and a molecular weight of 370.31 g/mol. Its IUPAC name is 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one
PubChem CID90284194
Molecular FormulaC16H16F2N2O6
Molecular Weight370.31 g/mol
Exact Mass370.10
IUPAC Name3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one
SMILESCO[C@@H](C)C1COC(=O)N1c1noc2c(F)c(F)c(C3OCCO3)cc12
InChIInChI=1S/C16H16F2N2O6/c1-7(22-2)10-6-25-16(21)20(10)14-9-5-8(15-23-3-4-24-15)11(17)12(18)13(9)26-19-14/h5,7,10,15H,3-4,6H2,1-2H3/t7-,10?/m0/s1
InChIKeyHWWOWSARQJGACB-BYDSUWOYSA-N
XLogP2.51
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one (CID 90284194) is 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one is CO[C@@H](C)C1COC(=O)N1c1noc2c(F)c(F)c(C3OCCO3)cc12.
What is the InChIKey of 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is HWWOWSARQJGACB-BYDSUWOYSA-N. The full InChI is InChI=1S/C16H16F2N2O6/c1-7(22-2)10-6-25-16(21)20(10)14-9-5-8(15-23-3-4-24-15)11(17)12(18)13(9)26-19-14/h5,7,10,15H,3-4,6H2,1-2H3/t7-,10?/m0/s1.
What are the key properties of 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one?
3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 370.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-4-[(1S)-1-methoxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90284194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).