(3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate

C21H20FNO4 — CID 41237682

IUPAC(3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
SMILESCc1noc(C)c1COc1ccc(CC(=O)OCc2cccc(F)c2)cc1
InChIInChI=1S/C21H20FNO4/c1-14-20(15(2)27-23-14)13-25-19-8-6-16(7-9-19)11-21(24)26-12-17-4-3-5-18(22)10-17/h3-10H,11-13H2,1-2H3
InChIKeyVDZZDWGXDVXTTB-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.30
Rot. Bonds7

About (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate

(3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate (PubChem CID 41237682) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
PubChem CID41237682
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name(3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
SMILESCc1noc(C)c1COc1ccc(CC(=O)OCc2cccc(F)c2)cc1
InChIInChI=1S/C21H20FNO4/c1-14-20(15(2)27-23-14)13-25-19-8-6-16(7-9-19)11-21(24)26-12-17-4-3-5-18(22)10-17/h3-10H,11-13H2,1-2H3
InChIKeyVDZZDWGXDVXTTB-UHFFFAOYSA-N
XLogP4.30
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate with MolForge

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Related Compounds

methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]oxymethyl]benzoate
CID 7771176
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 31335493
(2-amino-2-oxoethyl) 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771114
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 32713086
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7399034
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771162
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771018
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 46623373
(3-fluorophenyl)methyl (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enoate
CID 7752735
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7398980
[(1R)-1-(2-chlorophenyl)ethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7399133

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate?
The IUPAC name of (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate (CID 41237682) is (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate?
The canonical SMILES for (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate is Cc1noc(C)c1COc1ccc(CC(=O)OCc2cccc(F)c2)cc1.
What is the InChIKey of (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate?
The InChIKey is VDZZDWGXDVXTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-14-20(15(2)27-23-14)13-25-19-8-6-16(7-9-19)11-21(24)26-12-17-4-3-5-18(22)10-17/h3-10H,11-13H2,1-2H3.
What are the key properties of (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate?
(3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate has a molecular weight of 369.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate is sourced from PubChem (CID 41237682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).