(5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole

C22H16ClF2NO — CID 142199821

IUPAC(5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1OC(c2c(F)cccc2F)=NC1c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClF2NO/c1-13-21(26-22(27-13)20-18(24)3-2-4-19(20)25)16-7-5-14(6-8-16)15-9-11-17(23)12-10-15/h2-13,21H,1H3/t13-,21?/m1/s1
InChIKeyCGCJKCQNPPUFMG-ILRUXTBWSA-N
MW383.83 g/mol
LogP6.19
Rot. Bonds3

About (5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole

(5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 142199821) has the molecular formula C22H16ClF2NO and a molecular weight of 383.83 g/mol. Its IUPAC name is (5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
PubChem CID142199821
Molecular FormulaC22H16ClF2NO
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC Name(5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1OC(c2c(F)cccc2F)=NC1c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClF2NO/c1-13-21(26-22(27-13)20-18(24)3-2-4-19(20)25)16-7-5-14(6-8-16)15-9-11-17(23)12-10-15/h2-13,21H,1H3/t13-,21?/m1/s1
InChIKeyCGCJKCQNPPUFMG-ILRUXTBWSA-N
XLogP6.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.83
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
4-(4-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853209
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
4-(2,4-Dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853265
4-(4-Chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853272
4-(4-Chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853293
2-(2,6-Difluorophenyl)-4-(4-dodecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007777
2-(2,6-Difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007780
2-(2,6-Difluorophenyl)-4-(2-fluoro-4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008028

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole (CID 142199821) is (5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole is C[C@H]1OC(c2c(F)cccc2F)=NC1c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of (5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CGCJKCQNPPUFMG-ILRUXTBWSA-N. The full InChI is InChI=1S/C22H16ClF2NO/c1-13-21(26-22(27-13)20-18(24)3-2-4-19(20)25)16-7-5-14(6-8-16)15-9-11-17(23)12-10-15/h2-13,21H,1H3/t13-,21?/m1/s1.
What are the key properties of (5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole?
(5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 383.83 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142199821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).