ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate

C31H29NO4 — CID 54031249

IUPACethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(CC2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1
InChIInChI=1S/C31H29NO4/c1-2-34-28(33)21-35-26-17-9-11-22(20-26)19-25-16-10-18-27(25)31-32-29(23-12-5-3-6-13-23)30(36-31)24-14-7-4-8-15-24/h3-9,11-15,17,20H,2,10,16,18-19,21H2,1H3
InChIKeyLFTGROPUGILIKB-UHFFFAOYSA-N
MW479.58 g/mol
LogP7.13
Rot. Bonds9

About ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate

ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate (PubChem CID 54031249) has the molecular formula C31H29NO4 and a molecular weight of 479.58 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate
PubChem CID54031249
Molecular FormulaC31H29NO4
Molecular Weight479.58 g/mol
Exact Mass479.21
IUPAC Nameethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(CC2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1
InChIInChI=1S/C31H29NO4/c1-2-34-28(33)21-35-26-17-9-11-22(20-26)19-25-16-10-18-27(25)31-32-29(23-12-5-3-6-13-23)30(36-31)24-14-7-4-8-15-24/h3-9,11-15,17,20H,2,10,16,18-19,21H2,1H3
InChIKeyLFTGROPUGILIKB-UHFFFAOYSA-N
XLogP7.13
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate with MolForge

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Related Compounds

ethyl 2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 15550200
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate
CID 18367332
ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate
CID 10002638
ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate
CID 66665337
2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)-1-hydroxycyclohex-2-en-1-yl]methyl]phenoxy]acetic acid
CID 70249541
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
ethyl 2-[3-[2-(3-formyl-4,5-diphenylfuran-2-yl)phenyl]phenoxy]acetate
CID 20577364
2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 19358476
propan-2-yl 2-(4,5-diphenyl-1,3-oxazol-2-yl)-3-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
CID 19779474
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-2-phenylethyl]phenoxy]acetic acid
CID 14971773

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate (CID 54031249) is ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate is CCOC(=O)COc1cccc(CC2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1.
What is the InChIKey of ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate?
The InChIKey is LFTGROPUGILIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO4/c1-2-34-28(33)21-35-26-17-9-11-22(20-26)19-25-16-10-18-27(25)31-32-29(23-12-5-3-6-13-23)30(36-31)24-14-7-4-8-15-24/h3-9,11-15,17,20H,2,10,16,18-19,21H2,1H3.
What are the key properties of ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate?
ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate has a molecular weight of 479.58 g/mol, XLogP of 7.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate is sourced from PubChem (CID 54031249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).