(5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione

C22H20F3NO4 — CID 58005332

IUPAC(5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cc(C(F)(F)F)c(C)cc1Oc1ccc2c(c1)CCC[C@H]2[C@@H]1OC(=O)NC1=O
InChIInChI=1S/C22H20F3NO4/c1-11-9-18(12(2)8-17(11)22(23,24)25)29-14-6-7-15-13(10-14)4-3-5-16(15)19-20(27)26-21(28)30-19/h6-10,16,19H,3-5H2,1-2H3,(H,26,27,28)/t16-,19+/m1/s1
InChIKeyROXSBWZCFVUJGN-APWZRJJASA-N
MW419.40 g/mol
LogP5.17
Rot. Bonds3

About (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione

(5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 58005332) has the molecular formula C22H20F3NO4 and a molecular weight of 419.40 g/mol. Its IUPAC name is (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
PubChem CID58005332
Molecular FormulaC22H20F3NO4
Molecular Weight419.40 g/mol
Exact Mass419.13
IUPAC Name(5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cc(C(F)(F)F)c(C)cc1Oc1ccc2c(c1)CCC[C@H]2[C@@H]1OC(=O)NC1=O
InChIInChI=1S/C22H20F3NO4/c1-11-9-18(12(2)8-17(11)22(23,24)25)29-14-6-7-15-13(10-14)4-3-5-16(15)19-20(27)26-21(28)30-19/h6-10,16,19H,3-5H2,1-2H3,(H,26,27,28)/t16-,19+/m1/s1
InChIKeyROXSBWZCFVUJGN-APWZRJJASA-N
XLogP5.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione (CID 58005332) is (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione is Cc1cc(C(F)(F)F)c(C)cc1Oc1ccc2c(c1)CCC[C@H]2[C@@H]1OC(=O)NC1=O.
What is the InChIKey of (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is ROXSBWZCFVUJGN-APWZRJJASA-N. The full InChI is InChI=1S/C22H20F3NO4/c1-11-9-18(12(2)8-17(11)22(23,24)25)29-14-6-7-15-13(10-14)4-3-5-16(15)19-20(27)26-21(28)30-19/h6-10,16,19H,3-5H2,1-2H3,(H,26,27,28)/t16-,19+/m1/s1.
What are the key properties of (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
(5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 419.40 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58005332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).