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

C24H26F3NO5 — CID 11005117

IUPAC(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc3c(c2)CCC(CC(OCc2ccccc2)C(F)(F)F)O3)C(=O)O1
InChIInChI=1S/C24H26F3NO5/c1-30-15-20-13-28(23(29)33-20)18-8-10-21-17(11-18)7-9-19(32-21)12-22(24(25,26)27)31-14-16-5-3-2-4-6-16/h2-6,8,10-11,19-20,22H,7,9,12-15H2,1H3/t19?,20-,22?/m1/s1
InChIKeyXCMHDNGCWGMWPK-SNCIUUNGSA-N
MW465.47 g/mol
LogP4.89
Rot. Bonds8

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

(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one (PubChem CID 11005117) has the molecular formula C24H26F3NO5 and a molecular weight of 465.47 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
PubChem CID11005117
Molecular FormulaC24H26F3NO5
Molecular Weight465.47 g/mol
Exact Mass465.18
IUPAC Name(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc3c(c2)CCC(CC(OCc2ccccc2)C(F)(F)F)O3)C(=O)O1
InChIInChI=1S/C24H26F3NO5/c1-30-15-20-13-28(23(29)33-20)18-8-10-21-17(11-18)7-9-19(32-21)12-22(24(25,26)27)31-14-16-5-3-2-4-6-16/h2-6,8,10-11,19-20,22H,7,9,12-15H2,1H3/t19?,20-,22?/m1/s1
InChIKeyXCMHDNGCWGMWPK-SNCIUUNGSA-N
XLogP4.89
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one (CID 11005117) is (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-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-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc3c(c2)CCC(CC(OCc2ccccc2)C(F)(F)F)O3)C(=O)O1.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
The InChIKey is XCMHDNGCWGMWPK-SNCIUUNGSA-N. The full InChI is InChI=1S/C24H26F3NO5/c1-30-15-20-13-28(23(29)33-20)18-8-10-21-17(11-18)7-9-19(32-21)12-22(24(25,26)27)31-14-16-5-3-2-4-6-16/h2-6,8,10-11,19-20,22H,7,9,12-15H2,1H3/t19?,20-,22?/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one?
(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 465.47 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoro-2-phenylmethoxypropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11005117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).