(5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole

C18H17F2NO — CID 166448999

IUPAC(5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole
SMILESCc1ccc(C2=NC[C@@](CC(F)F)(c3ccccc3)O2)cc1
InChIInChI=1S/C18H17F2NO/c1-13-7-9-14(10-8-13)17-21-12-18(22-17,11-16(19)20)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3/t18-/m0/s1
InChIKeySITZPSGTKMPZSI-SFHVURJKSA-N
MW301.34 g/mol
LogP4.32
Rot. Bonds4

About (5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole

(5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole (PubChem CID 166448999) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is (5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole
PubChem CID166448999
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole
SMILESCc1ccc(C2=NC[C@@](CC(F)F)(c3ccccc3)O2)cc1
InChIInChI=1S/C18H17F2NO/c1-13-7-9-14(10-8-13)17-21-12-18(22-17,11-16(19)20)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3/t18-/m0/s1
InChIKeySITZPSGTKMPZSI-SFHVURJKSA-N
XLogP4.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.32
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
2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 2725909
2-(4-Butylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519396
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853251
2-(2,6-Difluorophenyl)-4-(4-dodecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007777

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole?
The IUPAC name of (5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole (CID 166448999) is (5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole?
The canonical SMILES for (5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole is Cc1ccc(C2=NC[C@@](CC(F)F)(c3ccccc3)O2)cc1.
What is the InChIKey of (5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole?
The InChIKey is SITZPSGTKMPZSI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17F2NO/c1-13-7-9-14(10-8-13)17-21-12-18(22-17,11-16(19)20)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3/t18-/m0/s1.
What are the key properties of (5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole?
(5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole has a molecular weight of 301.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,2-difluoroethyl)-2-(4-methylphenyl)-5-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 166448999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).