3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

C21H23F3N2O4 — CID 86879732

IUPAC3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(CNC(C)c2cccc(N3CCOC3=O)c2)ccc1OCC(F)(F)F
InChIInChI=1S/C21H23F3N2O4/c1-14(16-4-3-5-17(11-16)26-8-9-29-20(26)27)25-12-15-6-7-18(19(10-15)28-2)30-13-21(22,23)24/h3-7,10-11,14,25H,8-9,12-13H2,1-2H3
InChIKeyPHZZQXNJSZOUEZ-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.44
Rot. Bonds8

About 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 86879732) has the molecular formula C21H23F3N2O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID86879732
Molecular FormulaC21H23F3N2O4
Molecular Weight424.42 g/mol
Exact Mass424.16
IUPAC Name3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(CNC(C)c2cccc(N3CCOC3=O)c2)ccc1OCC(F)(F)F
InChIInChI=1S/C21H23F3N2O4/c1-14(16-4-3-5-17(11-16)26-8-9-29-20(26)27)25-12-15-6-7-18(19(10-15)28-2)30-13-21(22,23)24/h3-7,10-11,14,25H,8-9,12-13H2,1-2H3
InChIKeyPHZZQXNJSZOUEZ-UHFFFAOYSA-N
XLogP4.44
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97107841
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 86879709
3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 95244208
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97333757
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 78805308
3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97333753
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(oxolan-2-yl)ethanamine
CID 119106728
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 95149643
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine
CID 43279496

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 86879732) is 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is COc1cc(CNC(C)c2cccc(N3CCOC3=O)c2)ccc1OCC(F)(F)F.
What is the InChIKey of 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is PHZZQXNJSZOUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O4/c1-14(16-4-3-5-17(11-16)26-8-9-29-20(26)27)25-12-15-6-7-18(19(10-15)28-2)30-13-21(22,23)24/h3-7,10-11,14,25H,8-9,12-13H2,1-2H3.
What are the key properties of 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 424.42 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86879732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).