(4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate

C20H18FNO3 — CID 55508434

IUPAC(4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(COC(=O)CCc2ncc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C20H18FNO3/c1-14-6-8-15(9-7-14)13-24-20(23)11-10-19-22-12-18(25-19)16-4-2-3-5-17(16)21/h2-9,12H,10-11,13H2,1H3
InChIKeyCWYSPTHBKOSUTR-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.47
Rot. Bonds6

About (4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate

(4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 55508434) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is (4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID55508434
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name(4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(COC(=O)CCc2ncc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C20H18FNO3/c1-14-6-8-15(9-7-14)13-24-20(23)11-10-19-22-12-18(25-19)16-4-2-3-5-17(16)21/h2-9,12H,10-11,13H2,1H3
InChIKeyCWYSPTHBKOSUTR-UHFFFAOYSA-N
XLogP4.47
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-nitrophenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 43063041
3,3-dimethylbutyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 78850724
(3,3-dimethyl-2-oxobutyl) 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509093
(2-fluorophenyl)methyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55486440
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide
CID 86915668
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
N-[(2,4-dimethylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18168838
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24619168
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 30180519

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of (4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 55508434) is (4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for (4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for (4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate is Cc1ccc(COC(=O)CCc2ncc(-c3ccccc3F)o2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is CWYSPTHBKOSUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-14-6-8-15(9-7-14)13-24-20(23)11-10-19-22-12-18(25-19)16-4-2-3-5-17(16)21/h2-9,12H,10-11,13H2,1H3.
What are the key properties of (4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
(4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 339.37 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 55508434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).