2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C11H4BrClF3NO3 — CID 107942103

IUPAC2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2cc(Cl)cc(Br)c2)nc1C(F)(F)F
InChIInChI=1S/C11H4BrClF3NO3/c12-5-1-4(2-6(13)3-5)9-17-8(11(14,15)16)7(20-9)10(18)19/h1-3H,(H,18,19)
InChIKeyXXISOHHNWRSRCG-UHFFFAOYSA-N
MW370.51 g/mol
LogP4.47
Rot. Bonds2

About 2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 107942103) has the molecular formula C11H4BrClF3NO3 and a molecular weight of 370.51 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID107942103
Molecular FormulaC11H4BrClF3NO3
Molecular Weight370.51 g/mol
Exact Mass368.90
IUPAC Name2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2cc(Cl)cc(Br)c2)nc1C(F)(F)F
InChIInChI=1S/C11H4BrClF3NO3/c12-5-1-4(2-6(13)3-5)9-17-8(11(14,15)16)7(20-9)10(18)19/h1-3H,(H,18,19)
InChIKeyXXISOHHNWRSRCG-UHFFFAOYSA-N
XLogP4.47
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 107942093
2-(3-bromo-5-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 107942088
2-(3-bromo-5-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid
CID 107944004
2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199380
2-(3-bromo-4-chlorophenyl)-4-tert-butyl-1,3-oxazole-5-carboxylic acid
CID 107995240
4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid
CID 103199343
2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199281
2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199410
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199450
4,5,7-trideuterio-2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 163322417
2-(3-chloro-5-nitrophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842442

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 107942103) is 2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(-c2cc(Cl)cc(Br)c2)nc1C(F)(F)F.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is XXISOHHNWRSRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrClF3NO3/c12-5-1-4(2-6(13)3-5)9-17-8(11(14,15)16)7(20-9)10(18)19/h1-3H,(H,18,19).
What are the key properties of 2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 370.51 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 107942103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).