methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate

C18H14FNO4 — CID 34061652

IUPACmethyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2coc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C18H14FNO4/c1-22-18(21)13-5-3-7-16(9-13)23-10-15-11-24-17(20-15)12-4-2-6-14(19)8-12/h2-9,11H,10H2,1H3
InChIKeyHJAPYDYFOCYOFK-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.85
Rot. Bonds5

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

methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate (PubChem CID 34061652) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
PubChem CID34061652
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Namemethyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2coc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C18H14FNO4/c1-22-18(21)13-5-3-7-16(9-13)23-10-15-11-24-17(20-15)12-4-2-6-14(19)8-12/h2-9,11H,10H2,1H3
InChIKeyHJAPYDYFOCYOFK-UHFFFAOYSA-N
XLogP3.85
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241347
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 166392291
4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
CID 34060939
methyl N-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]carbamate
CID 60522785
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 10637727
N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide
CID 60523533
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370
methyl 3-fluorobenzoate
CID 521184
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
2-[methoxycarbonyl-[[3-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 46888968

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate?
The IUPAC name of methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate (CID 34061652) is methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate.
What is the SMILES notation for methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate?
The canonical SMILES for methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate is COC(=O)c1cccc(OCc2coc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate?
The InChIKey is HJAPYDYFOCYOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-22-18(21)13-5-3-7-16(9-13)23-10-15-11-24-17(20-15)12-4-2-6-14(19)8-12/h2-9,11H,10H2,1H3.
What are the key properties of methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate?
methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate has a molecular weight of 327.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate is sourced from PubChem (CID 34061652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).