(5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one

C18H22F3NO5 — CID 18646205

IUPAC(5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(CCCC3(C(F)(F)F)OCCO3)cc2)C(=O)O1
InChIInChI=1S/C18H22F3NO5/c1-24-12-15-11-22(16(23)27-15)14-6-4-13(5-7-14)3-2-8-17(18(19,20)21)25-9-10-26-17/h4-7,15H,2-3,8-12H2,1H3/t15-/m1/s1
InChIKeyLQJJVXAURZCXFL-OAHLLOKOSA-N
MW389.37 g/mol
LogP3.29
Rot. Bonds7

About (5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one

(5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 18646205) has the molecular formula C18H22F3NO5 and a molecular weight of 389.37 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID18646205
Molecular FormulaC18H22F3NO5
Molecular Weight389.37 g/mol
Exact Mass389.15
IUPAC Name(5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(CCCC3(C(F)(F)F)OCCO3)cc2)C(=O)O1
InChIInChI=1S/C18H22F3NO5/c1-24-12-15-11-22(16(23)27-15)14-6-4-13(5-7-14)3-2-8-17(18(19,20)21)25-9-10-26-17/h4-7,15H,2-3,8-12H2,1H3/t15-/m1/s1
InChIKeyLQJJVXAURZCXFL-OAHLLOKOSA-N
XLogP3.29
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.29
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-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one (CID 18646205) is (5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc(CCCC3(C(F)(F)F)OCCO3)cc2)C(=O)O1.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is LQJJVXAURZCXFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22F3NO5/c1-24-12-15-11-22(16(23)27-15)14-6-4-13(5-7-14)3-2-8-17(18(19,20)21)25-9-10-26-17/h4-7,15H,2-3,8-12H2,1H3/t15-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 389.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18646205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).