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

C28H25NO6 — CID 59396864

IUPAC(5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(C(=O)c2ccc(Oc3cccc([C@@]4(C)OC(=O)NC4=O)c3)c(CC3CC3)c2)cc1
InChIInChI=1S/C28H25NO6/c1-28(26(31)29-27(32)35-28)21-4-3-5-23(16-21)34-24-13-10-19(15-20(24)14-17-6-7-17)25(30)18-8-11-22(33-2)12-9-18/h3-5,8-13,15-17H,6-7,14H2,1-2H3,(H,29,31,32)/t28-/m1/s1
InChIKeyJJQMABOITXZDKI-MUUNZHRXSA-N
MW471.51 g/mol
LogP5.15
Rot. Bonds8

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

(5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 59396864) has the molecular formula C28H25NO6 and a molecular weight of 471.51 g/mol. Its IUPAC name is (5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID59396864
Molecular FormulaC28H25NO6
Molecular Weight471.51 g/mol
Exact Mass471.17
IUPAC Name(5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(C(=O)c2ccc(Oc3cccc([C@@]4(C)OC(=O)NC4=O)c3)c(CC3CC3)c2)cc1
InChIInChI=1S/C28H25NO6/c1-28(26(31)29-27(32)35-28)21-4-3-5-23(16-21)34-24-13-10-19(15-20(24)14-17-6-7-17)25(30)18-8-11-22(33-2)12-9-18/h3-5,8-13,15-17H,6-7,14H2,1-2H3,(H,29,31,32)/t28-/m1/s1
InChIKeyJJQMABOITXZDKI-MUUNZHRXSA-N
XLogP5.15
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione (CID 59396864) is (5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione is COc1ccc(C(=O)c2ccc(Oc3cccc([C@@]4(C)OC(=O)NC4=O)c3)c(CC3CC3)c2)cc1.
What is the InChIKey of (5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is JJQMABOITXZDKI-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H25NO6/c1-28(26(31)29-27(32)35-28)21-4-3-5-23(16-21)34-24-13-10-19(15-20(24)14-17-6-7-17)25(30)18-8-11-22(33-2)12-9-18/h3-5,8-13,15-17H,6-7,14H2,1-2H3,(H,29,31,32)/t28-/m1/s1.
What are the key properties of (5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione?
(5R)-5-[3-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 471.51 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-[2-(cyclopropylmethyl)-4-(4-methoxybenzoyl)phenoxy]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 59396864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).