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

C13H12FNO4 — CID 21088768

IUPACmethyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate
SMILESCOC(=O)CCc1oc(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H12FNO4/c1-18-11(16)7-6-10-12(15-13(17)19-10)8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3,(H,15,17)
InChIKeyQNMGSWAFOOUPCI-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.88
Rot. Bonds4

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

methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate (PubChem CID 21088768) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate
PubChem CID21088768
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Namemethyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate
SMILESCOC(=O)CCc1oc(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H12FNO4/c1-18-11(16)7-6-10-12(15-13(17)19-10)8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3,(H,15,17)
InChIKeyQNMGSWAFOOUPCI-UHFFFAOYSA-N
XLogP1.88
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[4-(4-fluorophenyl)-2-oxo-4-oxazolin-5-yl]butanoate
CID 18174763
4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
CID 21119784
Methyl 3-[2-oxo-4-(4-trifluoromethylphenyl)-4-oxazolin-5-yl]propionate
CID 23431800
4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one
CID 54313405
4-(3-fluorophenyl)-5-methyl-3H-1,3-oxazol-2-one
CID 67982166
4-(3-fluorophenyl)-3H-1,3-oxazol-2-one
CID 67982527
4-(2-fluorophenyl)-3H-1,3-oxazol-2-one
CID 105437819
5-methoxy-6-(2,4,6-trifluorophenyl)-3,4-dihydro-1H-pyridin-2-one
CID 142490602
tert-butyl N-[1-(4-fluorophenyl)ethenyl]carbamate
CID 166891138
5-Ethyl-4-phenyl-2(3H)-oxazolone
CID 105443446
4-phenyl-5-propyl-3H-1,3-oxazol-2-one
CID 121008217
5-butyl-4-phenyl-3H-1,3-oxazol-2-one
CID 134909162

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate?
The IUPAC name of methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate (CID 21088768) is methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate is COC(=O)CCc1oc(=O)[nH]c1-c1ccc(F)cc1.
What is the InChIKey of methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate?
The InChIKey is QNMGSWAFOOUPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-18-11(16)7-6-10-12(15-13(17)19-10)8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3,(H,15,17).
What are the key properties of methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate?
methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate has a molecular weight of 265.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate is sourced from PubChem (CID 21088768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).