2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole

C28H23F3N4O3S — CID 90446995

IUPAC2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cccnc2C)o1
InChIInChI=1S/C28H23F3N4O3S/c1-16-22(9-6-12-32-16)27-26(34-18(3)38-27)23-14-20(19-7-5-8-21(13-19)39(4,36)37)10-11-24(23)35-15-25(28(29,30)31)33-17(35)2/h5-15H,1-4H3
InChIKeyLRZBMQHLEGUEPU-UHFFFAOYSA-N
MW552.58 g/mol
LogP6.60
Rot. Bonds5

About 2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole

2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole (PubChem CID 90446995) has the molecular formula C28H23F3N4O3S and a molecular weight of 552.58 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
PubChem CID90446995
Molecular FormulaC28H23F3N4O3S
Molecular Weight552.58 g/mol
Exact Mass552.14
IUPAC Name2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cccnc2C)o1
InChIInChI=1S/C28H23F3N4O3S/c1-16-22(9-6-12-32-16)27-26(34-18(3)38-27)23-14-20(19-7-5-8-21(13-19)39(4,36)37)10-11-24(23)35-15-25(28(29,30)31)33-17(35)2/h5-15H,1-4H3
InChIKeyLRZBMQHLEGUEPU-UHFFFAOYSA-N
XLogP6.60
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.58
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-Fluoro-6-methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol
CID 90447547
5-Methyl-2-phenyl-4-{[2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-B]pyridin-3-YL]methyl}-1,3-oxazole
CID 16021067
4-Methyl-2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole
CID 44176606
[2-Methylsulfonyl-4-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-[2-propyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]phenyl]methanol
CID 78319105
5-[3-Cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
CID 90446976
5-[2-(Difluoromethoxy)pyridin-3-yl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
CID 90446977
[4-[3-[5-[2-(Difluoromethoxy)pyridin-3-yl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol
CID 90446978
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
CID 90446990
5-(2-Cyclopropylpyridin-3-yl)-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
CID 90446993
[4-[3-[5-(2-Cyclopropylpyridin-3-yl)-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol
CID 90446994
5-[3,4-Bis(difluoromethoxy)phenyl]-2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole
CID 90447001
[2-Fluoro-4-[3-[2-methyl-5-(2-methylpyridin-3-yl)-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-6-methylsulfonylphenyl]methanol
CID 90447015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole (CID 90446995) is 2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole is Cc1nc(-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cccnc2C)o1.
What is the InChIKey of 2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?
The InChIKey is LRZBMQHLEGUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O3S/c1-16-22(9-6-12-32-16)27-26(34-18(3)38-27)23-14-20(19-7-5-8-21(13-19)39(4,36)37)10-11-24(23)35-15-25(28(29,30)31)33-17(35)2/h5-15H,1-4H3.
What are the key properties of 2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole?
2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole has a molecular weight of 552.58 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-3-pyridinyl)-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 90446995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).