(5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione

C19H13ClF3NO4 — CID 58005316

IUPAC(5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H]([C@@H]2CCc3cc(Oc4ccc(C(F)(F)F)cc4Cl)ccc32)O1
InChIInChI=1S/C19H13ClF3NO4/c20-14-8-10(19(21,22)23)2-6-15(14)27-11-3-5-12-9(7-11)1-4-13(12)16-17(25)24-18(26)28-16/h2-3,5-8,13,16H,1,4H2,(H,24,25,26)/t13-,16+/m1/s1
InChIKeyKUAKAGPVPKNYIL-CJNGLKHVSA-N
MW411.76 g/mol
LogP4.82
Rot. Bonds3

About (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione

(5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 58005316) has the molecular formula C19H13ClF3NO4 and a molecular weight of 411.76 g/mol. Its IUPAC name is (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
PubChem CID58005316
Molecular FormulaC19H13ClF3NO4
Molecular Weight411.76 g/mol
Exact Mass411.05
IUPAC Name(5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H]([C@@H]2CCc3cc(Oc4ccc(C(F)(F)F)cc4Cl)ccc32)O1
InChIInChI=1S/C19H13ClF3NO4/c20-14-8-10(19(21,22)23)2-6-15(14)27-11-3-5-12-9(7-11)1-4-13(12)16-17(25)24-18(26)28-16/h2-3,5-8,13,16H,1,4H2,(H,24,25,26)/t13-,16+/m1/s1
InChIKeyKUAKAGPVPKNYIL-CJNGLKHVSA-N
XLogP4.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.76
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-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 (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione (CID 58005316) is (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione is O=C1NC(=O)[C@H]([C@@H]2CCc3cc(Oc4ccc(C(F)(F)F)cc4Cl)ccc32)O1.
What is the InChIKey of (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is KUAKAGPVPKNYIL-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H13ClF3NO4/c20-14-8-10(19(21,22)23)2-6-15(14)27-11-3-5-12-9(7-11)1-4-13(12)16-17(25)24-18(26)28-16/h2-3,5-8,13,16H,1,4H2,(H,24,25,26)/t13-,16+/m1/s1.
What are the key properties of (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
(5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 411.76 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58005316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).