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

C37H38N2O8 — CID 145071099

IUPACethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCC.O=C(Cc1cccc(OCc2ccccc2)c1)N1CCOC1=O.O=C1OCCN1C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H17NO4.C17H15NO4.C2H6/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;1-2/h1-8,11H,9-10,12-13H2;1-8,11H,9-10,12H2;1-2H3
InChIKeyGYENORBEGSWFJF-UHFFFAOYSA-N
MW638.72 g/mol
LogP6.67
Rot. Bonds9

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

ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 145071099) has the molecular formula C37H38N2O8 and a molecular weight of 638.72 g/mol. Its IUPAC name is ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID145071099
Molecular FormulaC37H38N2O8
Molecular Weight638.72 g/mol
Exact Mass638.26
IUPAC Nameethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCC.O=C(Cc1cccc(OCc2ccccc2)c1)N1CCOC1=O.O=C1OCCN1C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H17NO4.C17H15NO4.C2H6/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;1-2/h1-8,11H,9-10,12-13H2;1-8,11H,9-10,12H2;1-2H3
InChIKeyGYENORBEGSWFJF-UHFFFAOYSA-N
XLogP6.67
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.72
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5,5'-((1-Methylethylidene)bis(4,1-phenyleneoxy))bis(2-methyl-1H-isoindole-1,3(2H)-dione)
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-(4-Methylphenoxy)benzoyl]-1,3-oxazolidin-2-one
CID 145978235
3-[4-(3-Methylphenoxy)benzoyl]-1,3-oxazolidin-2-one
CID 145978801
Ethyl 6-[3-[[[4-(3-phenylmethoxyphenyl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoate
CID 70684179
Ethyl 6-[3-[[isopropyl-[4-(3-phenoxyphenyl)benzoyl]amino]methyl]phenoxy]hexanoate
CID 70688428
3,4-Bis(3,4-dimethoxyphenyl)-1-(3-methoxy-4-phenylmethoxybenzoyl)pyrrole-2,5-dione
CID 122185089
(3E,5E)-3,5-dibenzylidene-1-[3-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-one
CID 171350111
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

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (CID 145071099) is ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is CC.O=C(Cc1cccc(OCc2ccccc2)c1)N1CCOC1=O.O=C1OCCN1C(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is GYENORBEGSWFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4.C17H15NO4.C2H6/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;1-2/h1-8,11H,9-10,12-13H2;1-8,11H,9-10,12H2;1-2H3.
What are the key properties of ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 638.72 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-phenylmethoxybenzoyl)-1,3-oxazolidin-2-one;3-[2-(3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 145071099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).