3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one

C35H32N2O8 — CID 145071104

IUPAC3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1cccc(OCc2ccccc2)c1)N1CCOC1=O.O=C1OCCN1C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H17NO4.C17H15NO4/c20-17(19-9-10-22-18(19)21)12-15-7-4-8-16(11-15)23-13-14-5-2-1-3-6-14;19-16(18-9-10-21-17(18)20)14-7-4-8-15(11-14)22-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12-13H2;1-8,11H,9-10,12H2
InChIKeyQGJJADOIVVAWEX-UHFFFAOYSA-N
MW608.65 g/mol
LogP5.64
Rot. Bonds9

About 3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one

3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 145071104) has the molecular formula C35H32N2O8 and a molecular weight of 608.65 g/mol. Its IUPAC name is 3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID145071104
Molecular FormulaC35H32N2O8
Molecular Weight608.65 g/mol
Exact Mass608.22
IUPAC Name3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1cccc(OCc2ccccc2)c1)N1CCOC1=O.O=C1OCCN1C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H17NO4.C17H15NO4/c20-17(19-9-10-22-18(19)21)12-15-7-4-8-16(11-15)23-13-14-5-2-1-3-6-14;19-16(18-9-10-21-17(18)20)14-7-4-8-15(11-14)22-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12-13H2;1-8,11H,9-10,12H2
InChIKeyQGJJADOIVVAWEX-UHFFFAOYSA-N
XLogP5.64
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.65
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 108586
3-(4-Phenoxybenzoyl)-1,3-oxazolidin-2-one
CID 132141213
1H-Isoindole-1,3(2H)-dione, 5,5'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis[2-methyl-
CID 6454553
3,4-Bis(3,4-dimethoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrole-2,5-dione
CID 134140513
3-(4-Cyclohexyloxybenzoyl)-1,3-oxazolidin-2-one
CID 145963965
3-[4-(4-Methylphenoxy)benzoyl]-1,3-oxazolidin-2-one
CID 145978235
3-[4-(3-Methylphenoxy)benzoyl]-1,3-oxazolidin-2-one
CID 145978801
[4-[3-[2-(4-Phenylpiperidin-1-yl)ethoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 70697589
3-(4-Phenylmethoxybenzoyl)-1,3-oxazolidin-2-one
CID 132141107
2-(3-Methoxyphenyl)-1-(3-{[3-(pyrrolidine-1-carbonyl)phenoxy]methyl}piperidin-1-YL)ethan-1-one
CID 50846237
2-(3-Methoxyphenyl)-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 50846510
2-(4-Methoxyphenyl)-1-(2-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}-1-pyrrolidinyl)-1-ethanone
CID 50846511

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (CID 145071104) is 3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is O=C(Cc1cccc(OCc2ccccc2)c1)N1CCOC1=O.O=C1OCCN1C(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is QGJJADOIVVAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4.C17H15NO4/c20-17(19-9-10-22-18(19)21)12-15-7-4-8-16(11-15)23-13-14-5-2-1-3-6-14;19-16(18-9-10-21-17(18)20)14-7-4-8-15(11-14)22-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12-13H2;1-8,11H,9-10,12H2.
What are the key properties of 3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 608.65 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 145071104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).