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

C28H27NO6 — CID 68685701

IUPAC(5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc(C[C@@]2(C)OC(=O)NC2=O)c1
InChIInChI=1S/C28H27NO6/c1-4-6-20-16-21(25(30)19-9-12-22(33-3)13-10-19)11-14-24(20)34-23-8-5-7-18(15-23)17-28(2)26(31)29-27(32)35-28/h5,7-16H,4,6,17H2,1-3H3,(H,29,31,32)/t28-/m1/s1
InChIKeyFZWWRTCPWDHAPE-MUUNZHRXSA-N
MW473.53 g/mol
LogP5.24
Rot. Bonds9

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

(5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 68685701) has the molecular formula C28H27NO6 and a molecular weight of 473.53 g/mol. Its IUPAC name is (5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID68685701
Molecular FormulaC28H27NO6
Molecular Weight473.53 g/mol
Exact Mass473.18
IUPAC Name(5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc(C[C@@]2(C)OC(=O)NC2=O)c1
InChIInChI=1S/C28H27NO6/c1-4-6-20-16-21(25(30)19-9-12-22(33-3)13-10-19)11-14-24(20)34-23-8-5-7-18(15-23)17-28(2)26(31)29-27(32)35-28/h5,7-16H,4,6,17H2,1-3H3,(H,29,31,32)/t28-/m1/s1
InChIKeyFZWWRTCPWDHAPE-MUUNZHRXSA-N
XLogP5.24
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-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-(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
(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
methyl 2-[3-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butoxy]phenyl]acetate
CID 22458910
(5E)-5-[[3-[4-(4-chlorophenoxy)-2-propylphenoxy]phenyl]methylidene]-1,3-oxazolidine-2,4-dione
CID 71181347
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone
CID 115812154
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]methyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione (CID 68685701) is (5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione is CCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc(C[C@@]2(C)OC(=O)NC2=O)c1.
What is the InChIKey of (5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is FZWWRTCPWDHAPE-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H27NO6/c1-4-6-20-16-21(25(30)19-9-12-22(33-3)13-10-19)11-14-24(20)34-23-8-5-7-18(15-23)17-28(2)26(31)29-27(32)35-28/h5,7-16H,4,6,17H2,1-3H3,(H,29,31,32)/t28-/m1/s1.
What are the key properties of (5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione?
(5R)-5-[[3-[4-(4-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 473.53 g/mol, XLogP of 5.24, 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-methoxybenzoyl)-2-propylphenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 68685701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).