[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate

C20H16FNO4 — CID 55543502

IUPAC[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H16FNO4/c1-24-18-5-3-2-4-14(18)8-11-19(23)25-12-17-13-26-20(22-17)15-6-9-16(21)10-7-15/h2-11,13H,12H2,1H3/b11-8+
InChIKeyDEYKNICHZUZYBL-DHZHZOJOSA-N
MW353.35 g/mol
LogP4.25
Rot. Bonds6

About [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 55543502) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID55543502
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H16FNO4/c1-24-18-5-3-2-4-14(18)8-11-19(23)25-12-17-13-26-20(22-17)15-6-9-16(21)10-7-15/h2-11,13H,12H2,1H3/b11-8+
InChIKeyDEYKNICHZUZYBL-DHZHZOJOSA-N
XLogP4.25
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963
[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2444614
[2-(4-fluorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4878019
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 55546213
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8605627
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
CID 32654742
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51133290
methyl (E)-3-[3-methoxy-4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]prop-2-enoate
CID 39035714
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 32775074
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 55542549
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 55543502) is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C/C(=O)OCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is DEYKNICHZUZYBL-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H16FNO4/c1-24-18-5-3-2-4-14(18)8-11-19(23)25-12-17-13-26-20(22-17)15-6-9-16(21)10-7-15/h2-11,13H,12H2,1H3/b11-8+.
What are the key properties of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate?
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 353.35 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 55543502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).