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

C16H14FNO — CID 154714641

IUPAC5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole
SMILESFCC1ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C16H14FNO/c17-11-14-15(12-7-3-1-4-8-12)16(18-19-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyBEFNJNWOLBJPBW-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.54
Rot. Bonds3

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

5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole (PubChem CID 154714641) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole
PubChem CID154714641
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole
SMILESFCC1ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C16H14FNO/c17-11-14-15(12-7-3-1-4-8-12)16(18-19-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyBEFNJNWOLBJPBW-UHFFFAOYSA-N
XLogP3.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole (CID 154714641) is 5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole is FCC1ON=C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is BEFNJNWOLBJPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-11-14-15(12-7-3-1-4-8-12)16(18-19-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2.
What are the key properties of 5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole?
5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 154714641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).