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

C20H17F3N2O4 — CID 89154996

IUPAC5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
SMILESNc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CCC[C@H]2C1OC(=O)NC1=O
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)11-4-7-16(15(24)9-11)28-12-5-6-13-10(8-12)2-1-3-14(13)17-18(26)25-19(27)29-17/h4-9,14,17H,1-3,24H2,(H,25,26,27)/t14-,17?/m1/s1
InChIKeyUOOVBUNNRSCZRL-XPCCGILXSA-N
MW406.36 g/mol
LogP4.13
Rot. Bonds3

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

5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 89154996) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
PubChem CID89154996
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
SMILESNc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CCC[C@H]2C1OC(=O)NC1=O
InChIInChI=1S/C20H17F3N2O4/c21-20(22,23)11-4-7-16(15(24)9-11)28-12-5-6-13-10(8-12)2-1-3-14(13)17-18(26)25-19(27)29-17/h4-9,14,17H,1-3,24H2,(H,25,26,27)/t14-,17?/m1/s1
InChIKeyUOOVBUNNRSCZRL-XPCCGILXSA-N
XLogP4.13
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione (CID 89154996) is 5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione is Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CCC[C@H]2C1OC(=O)NC1=O.
What is the InChIKey of 5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is UOOVBUNNRSCZRL-XPCCGILXSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c21-20(22,23)11-4-7-16(15(24)9-11)28-12-5-6-13-10(8-12)2-1-3-14(13)17-18(26)25-19(27)29-17/h4-9,14,17H,1-3,24H2,(H,25,26,27)/t14-,17?/m1/s1.
What are the key properties of 5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 406.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-6-[2-amino-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 89154996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).