4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole

C22H13BrF7N3O2 — CID 90447392

IUPAC4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2cc(Br)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cc(F)c(OC(F)F)c(F)c2)o1
InChIInChI=1S/C22H13BrF7N3O2/c1-9-31-17(22(28,29)30)8-33(9)16-4-3-12(23)7-13(16)18-19(34-10(2)32-18)11-5-14(24)20(15(25)6-11)35-21(26)27/h3-8,21H,1-2H3
InChIKeySATDFYQZTXXRKV-UHFFFAOYSA-N
MW564.26 g/mol
LogP7.47
Rot. Bonds5

About 4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole

4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole (PubChem CID 90447392) has the molecular formula C22H13BrF7N3O2 and a molecular weight of 564.26 g/mol. Its IUPAC name is 4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole
PubChem CID90447392
Molecular FormulaC22H13BrF7N3O2
Molecular Weight564.26 g/mol
Exact Mass563.01
IUPAC Name4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2cc(Br)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cc(F)c(OC(F)F)c(F)c2)o1
InChIInChI=1S/C22H13BrF7N3O2/c1-9-31-17(22(28,29)30)8-33(9)16-4-3-12(23)7-13(16)18-19(34-10(2)32-18)11-5-14(24)20(15(25)6-11)35-21(26)27/h3-8,21H,1-2H3
InChIKeySATDFYQZTXXRKV-UHFFFAOYSA-N
XLogP7.47
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.26
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-[4-bromo-2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-4-yl]phenyl]-2-methylimidazole-4-carboxylate
CID 90424212
5-[5-Bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-4-(4-chlorophenyl)-1,3-oxazole
CID 90424321
1-[4-Bromo-2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-4-yl]phenyl]-2-methylimidazole-4-carboxamide
CID 90425159
3-[3-[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-N,N-dimethylbenzamide
CID 90446992
1-[4-Bromo-2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-4-yl]phenyl]-2-methylimidazole-4-carboxylic acid
CID 90447008
2-[3-[3-[5-[4-(Difluoromethoxy)phenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]-2-methylpropanamide
CID 90447048
4-[5-Bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 90447120
[1-[4-Bromo-2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-4-yl]phenyl]-2-methylimidazol-4-yl]methanol
CID 90447274
1-[4-Bromo-2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-4-yl]phenyl]-2-methylimidazole-4-carbaldehyde
CID 90447279
1-[1-[4-Bromo-2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-4-yl]phenyl]-2-methylimidazol-4-yl]ethanol
CID 90447280
1-[4-Bromo-2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-4-yl]phenyl]-2-methylimidazole-4-carbonitrile
CID 90447500
1-[3-[3-[5-[4-(Difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxamide
CID 90447513

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole (CID 90447392) is 4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole is Cc1nc(-c2cc(Br)ccc2-n2cc(C(F)(F)F)nc2C)c(-c2cc(F)c(OC(F)F)c(F)c2)o1.
What is the InChIKey of 4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole?
The InChIKey is SATDFYQZTXXRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrF7N3O2/c1-9-31-17(22(28,29)30)8-33(9)16-4-3-12(23)7-13(16)18-19(34-10(2)32-18)11-5-14(24)20(15(25)6-11)35-21(26)27/h3-8,21H,1-2H3.
What are the key properties of 4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole?
4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole has a molecular weight of 564.26 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 90447392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).