5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione

C21H18F3NO6 — CID 11655034

IUPAC5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCC(O)c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCC[C@H]2C1OC(=O)NC1=O
InChIInChI=1S/C21H18F3NO6/c1-10(26)15-8-11(21(22,23)24)2-5-16(15)30-12-3-4-13-14(6-7-29-17(13)9-12)18-19(27)25-20(28)31-18/h2-5,8-10,14,18,26H,6-7H2,1H3,(H,25,27,28)/t10?,14-,18?/m1/s1
InChIKeyLGNNUOFLPMECRW-MJFHRTCQSA-N
MW437.37 g/mol
LogP4.05
Rot. Bonds4

About 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione

5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 11655034) has the molecular formula C21H18F3NO6 and a molecular weight of 437.37 g/mol. Its IUPAC name is 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID11655034
Molecular FormulaC21H18F3NO6
Molecular Weight437.37 g/mol
Exact Mass437.11
IUPAC Name5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCC(O)c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCC[C@H]2C1OC(=O)NC1=O
InChIInChI=1S/C21H18F3NO6/c1-10(26)15-8-11(21(22,23)24)2-5-16(15)30-12-3-4-13-14(6-7-29-17(13)9-12)18-19(27)25-20(28)31-18/h2-5,8-10,14,18,26H,6-7H2,1H3,(H,25,27,28)/t10?,14-,18?/m1/s1
InChIKeyLGNNUOFLPMECRW-MJFHRTCQSA-N
XLogP4.05
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-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

Related Compounds

5-[3-[3-[4-(Oxan-4-yl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 9911749
5-[3-[3-[2-Propyl-4-(4,4-difluorocyclohexyl)phenoxy]propoxy]phenyl]oxazolidine-2,4-dione
CID 9913333
5-[3-[3-(4-Cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 9933537
5-[3-[3-[4-(4-Hydroxycyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 44345172
(5S)-5-[3-[3-[4-(4-hydroxycyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 54580273
(5S)-5-[3-[3-[4-(4,4-difluorocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 54580274
(5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 54581271
(5S)-5-[3-[3-[4-(oxan-4-yl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 54582294
5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-thiazolidine-2,4-dione
CID 58005418
5-[3-[3-[4-(4-Oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 44345183
(5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 54583267
5-(4-(3-(4-Cyclohexyl-2-propylphenoxy)propoxy)phenyl)-1,3-oxazolidine-2,4-dione
CID 24901761

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione (CID 11655034) is 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione is CC(O)c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCC[C@H]2C1OC(=O)NC1=O.
What is the InChIKey of 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is LGNNUOFLPMECRW-MJFHRTCQSA-N. The full InChI is InChI=1S/C21H18F3NO6/c1-10(26)15-8-11(21(22,23)24)2-5-16(15)30-12-3-4-13-14(6-7-29-17(13)9-12)18-19(27)25-20(28)31-18/h2-5,8-10,14,18,26H,6-7H2,1H3,(H,25,27,28)/t10?,14-,18?/m1/s1.
What are the key properties of 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 437.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-7-[2-(1-hydroxyethyl)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 11655034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).