5-[(4-fluorophenyl)methyl]-1,3-oxazole

C10H8FNO — CID 154020820

IUPAC5-[(4-fluorophenyl)methyl]-1,3-oxazole
SMILESFc1ccc(Cc2cnco2)cc1
InChIInChI=1S/C10H8FNO/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5H2
InChIKeyAPWZWSCUSASPMF-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.40
Rot. Bonds2

About 5-[(4-fluorophenyl)methyl]-1,3-oxazole

5-[(4-fluorophenyl)methyl]-1,3-oxazole (PubChem CID 154020820) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-1,3-oxazole
PubChem CID154020820
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name5-[(4-fluorophenyl)methyl]-1,3-oxazole
SMILESFc1ccc(Cc2cnco2)cc1
InChIInChI=1S/C10H8FNO/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5H2
InChIKeyAPWZWSCUSASPMF-UHFFFAOYSA-N
XLogP2.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl oxazole
CID 589311
7-Phenyl-1-(5-(trifluoromethyl)oxazol-2-yl)heptan-1-one
CID 11991896
5-(4-Methylphenyl)-1,3-oxazole
CID 2739179
1-(5-Methyl-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991888
1-(5-Fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991891
5-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pentanal
CID 76310896
5-(3-(Trifluoromethyl)phenyl)oxazole
CID 2777664
2-Chloro-5-phenyl-1,3-oxazole
CID 10997626
5-(2-(Trifluoromethyl)phenyl)oxazole
CID 3458175
5-(4-Fluorophenyl)-1,3-oxazole
CID 2737480
5-(4-Ethylphenyl)oxazole
CID 59545236
5-(4-(Trifluoromethyl)phenyl)oxazole
CID 13268414

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-1,3-oxazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-1,3-oxazole (CID 154020820) is 5-[(4-fluorophenyl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-1,3-oxazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-1,3-oxazole is Fc1ccc(Cc2cnco2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-1,3-oxazole?
The InChIKey is APWZWSCUSASPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-1,3-oxazole?
5-[(4-fluorophenyl)methyl]-1,3-oxazole has a molecular weight of 177.18 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-1,3-oxazole is sourced from PubChem (CID 154020820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).