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

C26H21F2NO4 — CID 10478877

IUPACmethyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CCc2nc(-c3ccccc3F)c(-c3ccccc3F)o2)c1
InChIInChI=1S/C26H21F2NO4/c1-31-24(30)16-32-18-8-6-7-17(15-18)13-14-23-29-25(19-9-2-4-11-21(19)27)26(33-23)20-10-3-5-12-22(20)28/h2-12,15H,13-14,16H2,1H3
InChIKeyXFCYJKUZZWDKRA-UHFFFAOYSA-N
MW449.45 g/mol
LogP5.62
Rot. Bonds8

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

methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate (PubChem CID 10478877) has the molecular formula C26H21F2NO4 and a molecular weight of 449.45 g/mol. Its IUPAC name is methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate
PubChem CID10478877
Molecular FormulaC26H21F2NO4
Molecular Weight449.45 g/mol
Exact Mass449.14
IUPAC Namemethyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CCc2nc(-c3ccccc3F)c(-c3ccccc3F)o2)c1
InChIInChI=1S/C26H21F2NO4/c1-31-24(30)16-32-18-8-6-7-17(15-18)13-14-23-29-25(19-9-2-4-11-21(19)27)26(33-23)20-10-3-5-12-22(20)28/h2-12,15H,13-14,16H2,1H3
InChIKeyXFCYJKUZZWDKRA-UHFFFAOYSA-N
XLogP5.62
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.45
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate
CID 10003432
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
methyl 2-[3-(4-oxobutyl)phenoxy]acetate
CID 21221318
2-[3-[2-[4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid
CID 10482264
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid
CID 10094051
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate
CID 10435449
methyl 2-[3-[[3-(2-methoxy-2-oxoethoxy)phenyl]disulfanyl]phenoxy]acetate
CID 171804931
methyl 2-[3-[2-(3,4,5-triphenylpyrazol-1-yl)ethyl]phenoxy]acetate
CID 10435598
2-(3-ethylphenoxy)ethyl 2-(2-fluorophenoxy)acetate
CID 55316441

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate (CID 10478877) is methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate is COC(=O)COc1cccc(CCc2nc(-c3ccccc3F)c(-c3ccccc3F)o2)c1.
What is the InChIKey of methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate?
The InChIKey is XFCYJKUZZWDKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2NO4/c1-31-24(30)16-32-18-8-6-7-17(15-18)13-14-23-29-25(19-9-2-4-11-21(19)27)26(33-23)20-10-3-5-12-22(20)28/h2-12,15H,13-14,16H2,1H3.
What are the key properties of methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate?
methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate has a molecular weight of 449.45 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate is sourced from PubChem (CID 10478877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).