methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate

C26H22FNO5 — CID 22241347

IUPACmethyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1COc1cccc(OCc2coc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C26H22FNO5/c1-17-6-3-8-19(24(17)26(29)30-2)14-31-22-10-5-11-23(13-22)32-15-21-16-33-25(28-21)18-7-4-9-20(27)12-18/h3-13,16H,14-15H2,1-2H3
InChIKeyIJJUPNBBPYGZGR-UHFFFAOYSA-N
MW447.46 g/mol
LogP5.73
Rot. Bonds8

About methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate

methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate (PubChem CID 22241347) has the molecular formula C26H22FNO5 and a molecular weight of 447.46 g/mol. Its IUPAC name is methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
PubChem CID22241347
Molecular FormulaC26H22FNO5
Molecular Weight447.46 g/mol
Exact Mass447.15
IUPAC Namemethyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1COc1cccc(OCc2coc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C26H22FNO5/c1-17-6-3-8-19(24(17)26(29)30-2)14-31-22-10-5-11-23(13-22)32-15-21-16-33-25(28-21)18-7-4-9-20(27)12-18/h3-13,16H,14-15H2,1-2H3
InChIKeyIJJUPNBBPYGZGR-UHFFFAOYSA-N
XLogP5.73
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate with MolForge

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Related Compounds

methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
CID 34061652
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068
cyclohexane;ethane;[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methanol;methyl 2-(hydroxymethyl)-6-methylbenzoate
CID 142936232
4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
CID 34060939
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241371
methyl 2-[[3-[(2,5-dimethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241250
methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241525
methyl 2-[[3-[(3-bromophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241464
2-(4-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030076
2-[methoxycarbonyl-[[3-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 46888968
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 166392291

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate?
The IUPAC name of methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate (CID 22241347) is methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate.
What is the SMILES notation for methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate?
The canonical SMILES for methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate is COC(=O)c1c(C)cccc1COc1cccc(OCc2coc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate?
The InChIKey is IJJUPNBBPYGZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO5/c1-17-6-3-8-19(24(17)26(29)30-2)14-31-22-10-5-11-23(13-22)32-15-21-16-33-25(28-21)18-7-4-9-20(27)12-18/h3-13,16H,14-15H2,1-2H3.
What are the key properties of methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate?
methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate has a molecular weight of 447.46 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate is sourced from PubChem (CID 22241347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).