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

C16H14FNO — CID 132569731

IUPAC5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole
SMILESFCC1(c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C16H14FNO/c17-12-16(14-9-5-2-6-10-14)11-15(18-19-16)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyZMTCJRSUKOVYIW-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.68
Rot. Bonds3

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

5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole (PubChem CID 132569731) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole
PubChem CID132569731
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole
SMILESFCC1(c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C16H14FNO/c17-12-16(14-9-5-2-6-10-14)11-15(18-19-16)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyZMTCJRSUKOVYIW-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol
CID 10777254
(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
(5S)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562089
4,5-Dihydro-5-methyl-3,5-diphenylisoxazole
CID 368754
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
3-Benzyl-5-phenyl-4,5-dihydro-1,2-oxazole
CID 15470983

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole (CID 132569731) is 5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole is FCC1(c2ccccc2)CC(c2ccccc2)=NO1.
What is the InChIKey of 5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole?
The InChIKey is ZMTCJRSUKOVYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-12-16(14-9-5-2-6-10-14)11-15(18-19-16)13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole?
5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3,5-diphenyl-4H-1,2-oxazole is sourced from PubChem (CID 132569731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).