(4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole

C17H15F2NO — CID 142199826

IUPAC(4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([C@@H]2N=C(c3c(F)cccc3F)O[C@@H]2C)cc1
InChIInChI=1S/C17H15F2NO/c1-10-6-8-12(9-7-10)16-11(2)21-17(20-16)15-13(18)4-3-5-14(15)19/h3-9,11,16H,1-2H3/t11-,16-/m1/s1
InChIKeyZRASXDNSOCLBLO-BDJLRTHQSA-N
MW287.31 g/mol
LogP4.18
Rot. Bonds2

About (4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole

(4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 142199826) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is (4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID142199826
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name(4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([C@@H]2N=C(c3c(F)cccc3F)O[C@@H]2C)cc1
InChIInChI=1S/C17H15F2NO/c1-10-6-8-12(9-7-10)16-11(2)21-17(20-16)15-13(18)4-3-5-14(15)19/h3-9,11,16H,1-2H3/t11-,16-/m1/s1
InChIKeyZRASXDNSOCLBLO-BDJLRTHQSA-N
XLogP4.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 142199838
(4R,5S)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069415
(4S,5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069441
(4R,5R)-2-(2,6-difluorophenyl)-4-(4-iodophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069446
(4R,5R)-4-(4-bromophenyl)-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 12056913
(4R,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 12056922
(5S)-2-(2,6-difluorophenyl)-5-methyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 147993167
(4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole;(4R,5R)-2-(2,6-difluorophenyl)-5-methyl-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 159478693
(4S,5S)-2-(2,6-difluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069407
(4S,5S)-4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069376
(4R,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 59069409
(4S,5S)-5-methyl-2,4-diphenyl-4,5-dihydro-1,3-oxazole
CID 13191729

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole (CID 142199826) is (4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole is Cc1ccc([C@@H]2N=C(c3c(F)cccc3F)O[C@@H]2C)cc1.
What is the InChIKey of (4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ZRASXDNSOCLBLO-BDJLRTHQSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-10-6-8-12(9-7-10)16-11(2)21-17(20-16)15-13(18)4-3-5-14(15)19/h3-9,11,16H,1-2H3/t11-,16-/m1/s1.
What are the key properties of (4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
(4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 287.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-(2,6-difluorophenyl)-5-methyl-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142199826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).