(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one

C16H18F3NO4 — CID 15345676

IUPAC(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc3c(c2)CC(CCC(F)(F)F)O3)C(=O)O1
InChIInChI=1S/C16H18F3NO4/c1-22-9-13-8-20(15(21)24-13)11-2-3-14-10(6-11)7-12(23-14)4-5-16(17,18)19/h2-3,6,12-13H,4-5,7-9H2,1H3/t12?,13-/m1/s1
InChIKeyMAHINJXZTZQIBP-ZGTCLIOFSA-N
MW345.32 g/mol
LogP3.30
Rot. Bonds5

About (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one

(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one (PubChem CID 15345676) has the molecular formula C16H18F3NO4 and a molecular weight of 345.32 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one
PubChem CID15345676
Molecular FormulaC16H18F3NO4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC Name(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc3c(c2)CC(CCC(F)(F)F)O3)C(=O)O1
InChIInChI=1S/C16H18F3NO4/c1-22-9-13-8-20(15(21)24-13)11-2-3-14-10(6-11)7-12(23-14)4-5-16(17,18)19/h2-3,6,12-13H,4-5,7-9H2,1H3/t12?,13-/m1/s1
InChIKeyMAHINJXZTZQIBP-ZGTCLIOFSA-N
XLogP3.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-(methoxymethyl)-3-(2-propyl-3,4-dihydro-2H-chromen-6-yl)-1,3-oxazolidin-2-one
CID 67581639
(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 142257657
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine
CID 20785291
3-(7-hydroxynaphthalen-2-yl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 19012479
(5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one
CID 18646248
2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 70332550
3-(4-cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 15987062
3-(6-bromo-3-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 23371856
(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10378182
(5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one
CID 57298262
[(2R)-4-[4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]butan-2-yl] acetate
CID 18646229

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one (CID 15345676) is (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc3c(c2)CC(CCC(F)(F)F)O3)C(=O)O1.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is MAHINJXZTZQIBP-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H18F3NO4/c1-22-9-13-8-20(15(21)24-13)11-2-3-14-10(6-11)7-12(23-14)4-5-16(17,18)19/h2-3,6,12-13H,4-5,7-9H2,1H3/t12?,13-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one?
(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 345.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15345676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).