2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole

C21H15F2NO — CID 15007837

IUPAC2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C21H15F2NO/c22-17-7-4-8-18(23)20(17)21-24-19(13-25-21)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12,19H,13H2
InChIKeyHJOLVFWNVRBHQI-UHFFFAOYSA-N
MW335.35 g/mol
LogP5.15
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15007837) has the molecular formula C21H15F2NO and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15007837
Molecular FormulaC21H15F2NO
Molecular Weight335.35 g/mol
Exact Mass335.11
IUPAC Name2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccccc3)cc2)CO1
InChIInChI=1S/C21H15F2NO/c22-17-7-4-8-18(23)20(17)21-24-19(13-25-21)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12,19H,13H2
InChIKeyHJOLVFWNVRBHQI-UHFFFAOYSA-N
XLogP5.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.35
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]benzenethiol
CID 15452320
4-[4-[4-[chloro(difluoro)methoxy]phenyl]phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15278890
2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 167550722
4-(3,4-dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853281
4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 71739475
2-(2,6-difluorophenyl)-4-(5-phenylthiophen-2-yl)-4,5-dihydro-1,3-oxazole
CID 19046235
4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol
CID 15390331
[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] propanoate
CID 22087383
4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 67533219
2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-thiazole
CID 158518278
4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
CID 89120771
12,25-diphenyl-4,7,17,20-tetraoxa-28,29,31,32-tetrazaheptacyclo[21.3.1.12,5.16,9.110,14.115,18.119,22]dotriaconta-1(27),5(32),6(31),10(30),11,13,18(29),19(28),23,25-decaene
CID 166018407

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole (CID 15007837) is 2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(-c3ccccc3)cc2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is HJOLVFWNVRBHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO/c22-17-7-4-8-18(23)20(17)21-24-19(13-25-21)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12,19H,13H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 335.35 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15007837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).