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

C18H22F3NO5 — CID 19745120

IUPAC5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOCC1CN(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
InChIKeyLQJJVXAURZCXFL-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.29
Rot. Bonds7

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

5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 19745120) has the molecular formula C18H22F3NO5 and a molecular weight of 389.37 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID19745120
Molecular FormulaC18H22F3NO5
Molecular Weight389.37 g/mol
Exact Mass389.15
IUPAC Name5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOCC1CN(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
InChIKeyLQJJVXAURZCXFL-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 10378182
CID 10378182
CID 44280829
CID 44280829
CID 44155534
CID 44155534
CID 211826
CID 211826
CID 44291244
CID 44291244
CID 10050028
CID 10050028
CID 10255545
CID 10255545
CID 10411371
CID 10411371
CID 18646205
CID 18646205
CID 18646258
CID 18646258
CID 19781999
CID 19781999
CID 20725642
CID 20725642

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one (CID 19745120) is 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 5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one is COCC1CN(c2ccc(CCCC3(C(F)(F)F)OCCO3)cc2)C(=O)O1.
What is the InChIKey of 5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is LQJJVXAURZCXFL-UHFFFAOYSA-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.
What are the key properties of 5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one?
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 5-(methoxymethyl)-3-[4-[3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]propyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 19745120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).