2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole

C22H17F2NO — CID 11602714

IUPAC2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole
SMILESFc1ccc(F)c(C2=CC(c3ccccc3)N(Cc3ccccc3)O2)c1
InChIInChI=1S/C22H17F2NO/c23-18-11-12-20(24)19(13-18)22-14-21(17-9-5-2-6-10-17)25(26-22)15-16-7-3-1-4-8-16/h1-14,21H,15H2
InChIKeyMKOPUALEZXEOQY-UHFFFAOYSA-N
MW349.38 g/mol
LogP5.49
Rot. Bonds4

About 2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole

2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole (PubChem CID 11602714) has the molecular formula C22H17F2NO and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole
PubChem CID11602714
Molecular FormulaC22H17F2NO
Molecular Weight349.38 g/mol
Exact Mass349.13
IUPAC Name2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole
SMILESFc1ccc(F)c(C2=CC(c3ccccc3)N(Cc3ccccc3)O2)c1
InChIInChI=1S/C22H17F2NO/c23-18-11-12-20(24)19(13-18)22-14-21(17-9-5-2-6-10-17)25(26-22)15-16-7-3-1-4-8-16/h1-14,21H,15H2
InChIKeyMKOPUALEZXEOQY-UHFFFAOYSA-N
XLogP5.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6712809
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CID 44426840
1-(Bis(4-fluorophenyl)methyl)-4-phenylpiperidin-4-ol
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5-(4-Fluoro-phenyl)-2-methyl-4-phenyl-2,3-dihydro-isoxazole
CID 10901219
4-(4-Fluoro-phenyl)-2-methyl-5-phenyl-2,3-dihydro-isoxazole
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4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole
CID 10912676
3,3-Diphenyl-2-(1-phenylethyl)-1,2-oxaziridine
CID 336231
(3R)-N-benzyl-3-(2,3,4,5,6-pentafluorophenyl)-N-[(1S)-1-phenylethyl]oxaziridine-2-sulfonamide
CID 13682904
(3S)-N-benzyl-3-(2,3,4,5,6-pentafluorophenyl)-N-[(1S)-1-phenylethyl]oxaziridine-2-sulfonamide
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N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine
CID 15880805
(1S)-2-[benzyl(hydroxy)amino]-2-cyclohexyl-1-(4-fluorophenyl)ethanol
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2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole
CID 11514657

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole?
The IUPAC name of 2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole (CID 11602714) is 2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole.
What is the SMILES notation for 2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole?
The canonical SMILES for 2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole is Fc1ccc(F)c(C2=CC(c3ccccc3)N(Cc3ccccc3)O2)c1.
What is the InChIKey of 2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole?
The InChIKey is MKOPUALEZXEOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO/c23-18-11-12-20(24)19(13-18)22-14-21(17-9-5-2-6-10-17)25(26-22)15-16-7-3-1-4-8-16/h1-14,21H,15H2.
What are the key properties of 2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole?
2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole has a molecular weight of 349.38 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole is sourced from PubChem (CID 11602714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).