(5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one

C16H20F3NO4 — CID 18646258

IUPAC(5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(CCCC(O)C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C16H20F3NO4/c1-23-10-13-9-20(15(22)24-13)12-7-5-11(6-8-12)3-2-4-14(21)16(17,18)19/h5-8,13-14,21H,2-4,9-10H2,1H3/t13-,14?/m1/s1
InChIKeyCBNMGEDMDXZQIZ-KWCCSABGSA-N
MW347.33 g/mol
LogP2.90
Rot. Bonds7

About (5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one

(5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 18646258) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID18646258
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name(5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(CCCC(O)C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C16H20F3NO4/c1-23-10-13-9-20(15(22)24-13)12-7-5-11(6-8-12)3-2-4-14(21)16(17,18)19/h5-8,13-14,21H,2-4,9-10H2,1H3/t13-,14?/m1/s1
InChIKeyCBNMGEDMDXZQIZ-KWCCSABGSA-N
XLogP2.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one (CID 18646258) is (5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc(CCCC(O)C(F)(F)F)cc2)C(=O)O1.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CBNMGEDMDXZQIZ-KWCCSABGSA-N. The full InChI is InChI=1S/C16H20F3NO4/c1-23-10-13-9-20(15(22)24-13)12-7-5-11(6-8-12)3-2-4-14(21)16(17,18)19/h5-8,13-14,21H,2-4,9-10H2,1H3/t13-,14?/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 347.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-3-[4-(5,5,5-trifluoro-4-hydroxypentyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18646258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).