3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane

C20H25F2N3O6 — CID 144673365

IUPAC3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane
SMILESCC1CN(c2c(C3OCCO3)cc3c(N4CCOC4=O)noc3c2F)C[C@@H](C)O1.CF
InChIInChI=1S/C19H22FN3O6.CH3F/c1-10-8-22(9-11(2)28-10)15-12(18-25-5-6-26-18)7-13-16(14(15)20)29-21-17(13)23-3-4-27-19(23)24;1-2/h7,10-11,18H,3-6,8-9H2,1-2H3;1H3/t10-,11?;/m1./s1
InChIKeyKUOIIUJUXQZAEK-QUUNXCOLSA-N
MW441.43 g/mol
LogP3.17
Rot. Bonds3

About 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane

3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane (PubChem CID 144673365) has the molecular formula C20H25F2N3O6 and a molecular weight of 441.43 g/mol. Its IUPAC name is 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane.

Molecular Properties

Compound Name3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane
PubChem CID144673365
Molecular FormulaC20H25F2N3O6
Molecular Weight441.43 g/mol
Exact Mass441.17
IUPAC Name3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane
SMILESCC1CN(c2c(C3OCCO3)cc3c(N4CCOC4=O)noc3c2F)C[C@@H](C)O1.CF
InChIInChI=1S/C19H22FN3O6.CH3F/c1-10-8-22(9-11(2)28-10)15-12(18-25-5-6-26-18)7-13-16(14(15)20)29-21-17(13)23-3-4-27-19(23)24;1-2/h7,10-11,18H,3-6,8-9H2,1-2H3;1H3/t10-,11?;/m1./s1
InChIKeyKUOIIUJUXQZAEK-QUUNXCOLSA-N
XLogP3.17
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane?
The IUPAC name of 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane (CID 144673365) is 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane.
What is the SMILES notation for 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane?
The canonical SMILES for 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane is CC1CN(c2c(C3OCCO3)cc3c(N4CCOC4=O)noc3c2F)C[C@@H](C)O1.CF.
What is the InChIKey of 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane?
The InChIKey is KUOIIUJUXQZAEK-QUUNXCOLSA-N. The full InChI is InChI=1S/C19H22FN3O6.CH3F/c1-10-8-22(9-11(2)28-10)15-12(18-25-5-6-26-18)7-13-16(14(15)20)29-21-17(13)23-3-4-27-19(23)24;1-2/h7,10-11,18H,3-6,8-9H2,1-2H3;1H3/t10-,11?;/m1./s1.
What are the key properties of 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane?
3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane has a molecular weight of 441.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane is sourced from PubChem (CID 144673365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).