5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one

C18H12FN3O3 — CID 37175464

IUPAC5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C18H12FN3O3/c19-14-8-6-13(7-9-14)17-20-22(18(23)24-17)11-15-10-16(21-25-15)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyWTGFDFHNMVHLJV-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.35
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one (PubChem CID 37175464) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
PubChem CID37175464
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C18H12FN3O3/c19-14-8-6-13(7-9-14)17-20-22(18(23)24-17)11-15-10-16(21-25-15)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyWTGFDFHNMVHLJV-UHFFFAOYSA-N
XLogP3.35
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-(furan-2-yl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 134010518
5-(4-fluorophenyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3,4-oxadiazol-2-one
CID 167749575
3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 17448323
2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione
CID 27039673
N-ethyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide
CID 17405547
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 18139790
(3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 31804849
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
5-(4-fluorophenyl)-3-phenyl-1,3,4-oxadiazol-2-one
CID 134966944
5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one
CID 134106929
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 18098618
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one (CID 37175464) is 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccc(F)cc2)nn1Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is WTGFDFHNMVHLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c19-14-8-6-13(7-9-14)17-20-22(18(23)24-17)11-15-10-16(21-25-15)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 337.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 37175464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).