5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole

C10H10FNO — CID 102340041

IUPAC5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESFCC1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H10FNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyHFPNAXUVDJSEEI-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.15
Rot. Bonds2

About 5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole

5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 102340041) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID102340041
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESFCC1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H10FNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyHFPNAXUVDJSEEI-UHFFFAOYSA-N
XLogP2.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one oxime
CID 18462343
(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71449648
3-[4-fluoro-2-(trifluoromethyl)phenyl]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,2]oxazole
CID 71456786
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, oxime
CID 57355301
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol
CID 13307489
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 102340041) is 5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole is FCC1CC(c2ccccc2)=NO1.
What is the InChIKey of 5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is HFPNAXUVDJSEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 179.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102340041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).