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

C20H16F3NO5 — CID 11718420

IUPAC5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCC[C@H]2C1OC(=O)NC1=O
InChIInChI=1S/C20H16F3NO5/c1-10-8-11(20(21,22)23)2-5-15(10)28-12-3-4-13-14(6-7-27-16(13)9-12)17-18(25)24-19(26)29-17/h2-5,8-9,14,17H,6-7H2,1H3,(H,24,25,26)/t14-,17?/m1/s1
InChIKeyKFPBNVYKPXMTLC-XPCCGILXSA-N
MW407.34 g/mol
LogP4.31
Rot. Bonds3

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

5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 11718420) has the molecular formula C20H16F3NO5 and a molecular weight of 407.34 g/mol. Its IUPAC name is 5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID11718420
Molecular FormulaC20H16F3NO5
Molecular Weight407.34 g/mol
Exact Mass407.10
IUPAC Name5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCC[C@H]2C1OC(=O)NC1=O
InChIInChI=1S/C20H16F3NO5/c1-10-8-11(20(21,22)23)2-5-15(10)28-12-3-4-13-14(6-7-27-16(13)9-12)17-18(25)24-19(26)29-17/h2-5,8-9,14,17H,6-7H2,1H3,(H,24,25,26)/t14-,17?/m1/s1
InChIKeyKFPBNVYKPXMTLC-XPCCGILXSA-N
XLogP4.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4R)-7-[2-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione (CID 11718420) is 5-[(4R)-7-[2-methyl-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-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione is Cc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCC[C@H]2C1OC(=O)NC1=O.
What is the InChIKey of 5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is KFPBNVYKPXMTLC-XPCCGILXSA-N. The full InChI is InChI=1S/C20H16F3NO5/c1-10-8-11(20(21,22)23)2-5-15(10)28-12-3-4-13-14(6-7-27-16(13)9-12)17-18(25)24-19(26)29-17/h2-5,8-9,14,17H,6-7H2,1H3,(H,24,25,26)/t14-,17?/m1/s1.
What are the key properties of 5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 407.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-7-[2-methyl-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 11718420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).