(5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione

C27H23F2NO6 — CID 59396879

IUPAC(5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C(=O)c2ccc(OC(F)F)cc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1
InChIInChI=1S/C27H23F2NO6/c1-3-5-17-14-18(23(31)16-8-11-20(12-9-16)35-25(28)29)10-13-22(17)34-21-7-4-6-19(15-21)27(2)24(32)30-26(33)36-27/h4,6-15,25H,3,5H2,1-2H3,(H,30,32,33)/t27-/m1/s1
InChIKeySBBUWMPCJYDVLJ-HHHXNRCGSA-N
MW495.48 g/mol
LogP5.75
Rot. Bonds9

About (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione

(5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 59396879) has the molecular formula C27H23F2NO6 and a molecular weight of 495.48 g/mol. Its IUPAC name is (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID59396879
Molecular FormulaC27H23F2NO6
Molecular Weight495.48 g/mol
Exact Mass495.15
IUPAC Name(5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C(=O)c2ccc(OC(F)F)cc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1
InChIInChI=1S/C27H23F2NO6/c1-3-5-17-14-18(23(31)16-8-11-20(12-9-16)35-25(28)29)10-13-22(17)34-21-7-4-6-19(15-21)27(2)24(32)30-26(33)36-27/h4,6-15,25H,3,5H2,1-2H3,(H,30,32,33)/t27-/m1/s1
InChIKeySBBUWMPCJYDVLJ-HHHXNRCGSA-N
XLogP5.75
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.48
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 59396843
(5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 11993735
(5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 68685701
(2S)-2-hydroxy-2-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]propanamide
CID 68684060
5-[3-[3-[4-(4-fluorophenoxy)-2-propylphenoxy]propoxy]phenyl]-5-methyl-1,3-thiazolidine-2,4-dione
CID 22459167
3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione
CID 43332655
(4-methoxy-3-propylphenyl)-(4-phenylphenyl)methanone
CID 166044935
(5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione
CID 71181347
(4-ethyl-3-propylphenyl)-(4-fluorophenyl)methanone
CID 143060614
3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 72529513
[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299025
5-(difluoromethoxy)-3,3-dipropyl-1H-indol-2-one
CID 106702025

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione (CID 59396879) is (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione is CCCc1cc(C(=O)c2ccc(OC(F)F)cc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1.
What is the InChIKey of (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is SBBUWMPCJYDVLJ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H23F2NO6/c1-3-5-17-14-18(23(31)16-8-11-20(12-9-16)35-25(28)29)10-13-22(17)34-21-7-4-6-19(15-21)27(2)24(32)30-26(33)36-27/h4,6-15,25H,3,5H2,1-2H3,(H,30,32,33)/t27-/m1/s1.
What are the key properties of (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
(5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 495.48 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[4-[4-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 59396879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).