(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one

C17H20F3NO4 — CID 10959310

IUPAC(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc3c(c2)CCC(CCC(F)(F)F)O3)C(=O)O1
InChIInChI=1S/C17H20F3NO4/c1-23-10-14-9-21(16(22)25-14)12-3-5-15-11(8-12)2-4-13(24-15)6-7-17(18,19)20/h3,5,8,13-14H,2,4,6-7,9-10H2,1H3/t13?,14-/m1/s1
InChIKeyIJYHNXHMCCRIOR-ARLHGKGLSA-N
MW359.34 g/mol
LogP3.69
Rot. Bonds5

About (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one

(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one (PubChem CID 10959310) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
PubChem CID10959310
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc3c(c2)CCC(CCC(F)(F)F)O3)C(=O)O1
InChIInChI=1S/C17H20F3NO4/c1-23-10-14-9-21(16(22)25-14)12-3-5-15-11(8-12)2-4-13(24-15)6-7-17(18,19)20/h3,5,8,13-14H,2,4,6-7,9-10H2,1H3/t13?,14-/m1/s1
InChIKeyIJYHNXHMCCRIOR-ARLHGKGLSA-N
XLogP3.69
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one (CID 10959310) is (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc3c(c2)CCC(CCC(F)(F)F)O3)C(=O)O1.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The InChIKey is IJYHNXHMCCRIOR-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-23-10-14-9-21(16(22)25-14)12-3-5-15-11(8-12)2-4-13(24-15)6-7-17(18,19)20/h3,5,8,13-14H,2,4,6-7,9-10H2,1H3/t13?,14-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 359.34 g/mol, XLogP of 3.69, 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)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10959310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).