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

C27H25NO6 — CID 11993735

IUPAC(5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1
InChIInChI=1S/C27H25NO6/c1-4-6-18-15-19(24(29)17-9-12-21(32-3)13-10-17)11-14-23(18)33-22-8-5-7-20(16-22)27(2)25(30)28-26(31)34-27/h5,7-16H,4,6H2,1-3H3,(H,28,30,31)/t27-/m1/s1
InChIKeyJTGSXJARRAZEQE-HHHXNRCGSA-N
MW459.50 g/mol
LogP5.15
Rot. Bonds8

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

(5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 11993735) has the molecular formula C27H25NO6 and a molecular weight of 459.50 g/mol. Its IUPAC name is (5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID11993735
Molecular FormulaC27H25NO6
Molecular Weight459.50 g/mol
Exact Mass459.17
IUPAC Name(5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1
InChIInChI=1S/C27H25NO6/c1-4-6-18-15-19(24(29)17-9-12-21(32-3)13-10-17)11-14-23(18)33-22-8-5-7-20(16-22)27(2)25(30)28-26(31)34-27/h5,7-16H,4,6H2,1-3H3,(H,28,30,31)/t27-/m1/s1
InChIKeyJTGSXJARRAZEQE-HHHXNRCGSA-N
XLogP5.15
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-[3-[4-(4-methoxybenzoyl)-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-(difluoromethoxy)benzoyl]-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 59396879
(5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 59396864
(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
(4-methoxy-3-propylphenyl)-(4-phenylphenyl)methanone
CID 166044935
(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone
CID 166082039
5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 82098506
(5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione
CID 71181347
methyl 2-[3-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butoxy]phenyl]acetate
CID 22458910
5-[3-[3-[4-(4-fluorophenoxy)-2-propylphenoxy]propoxy]phenyl]-5-methyl-1,3-thiazolidine-2,4-dione
CID 22459167
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione (CID 11993735) is (5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione is CCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1.
What is the InChIKey of (5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is JTGSXJARRAZEQE-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H25NO6/c1-4-6-18-15-19(24(29)17-9-12-21(32-3)13-10-17)11-14-23(18)33-22-8-5-7-20(16-22)27(2)25(30)28-26(31)34-27/h5,7-16H,4,6H2,1-3H3,(H,28,30,31)/t27-/m1/s1.
What are the key properties of (5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
(5R)-5-[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 459.50 g/mol, XLogP of 5.15, 8 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-methoxybenzoyl)-2-propylphenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 11993735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).