2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole

C13H6BrF3N2O — CID 66880917

IUPAC2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2oc(-c3ccncc3Br)nc2c1
InChIInChI=1S/C13H6BrF3N2O/c14-9-6-18-4-3-8(9)12-19-10-5-7(13(15,16)17)1-2-11(10)20-12/h1-6H
InChIKeyZIDUZMGPOUWMKA-UHFFFAOYSA-N
MW343.10 g/mol
LogP4.67
Rot. Bonds1

About 2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole

2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 66880917) has the molecular formula C13H6BrF3N2O and a molecular weight of 343.10 g/mol. Its IUPAC name is 2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID66880917
Molecular FormulaC13H6BrF3N2O
Molecular Weight343.10 g/mol
Exact Mass341.96
IUPAC Name2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2oc(-c3ccncc3Br)nc2c1
InChIInChI=1S/C13H6BrF3N2O/c14-9-6-18-4-3-8(9)12-19-10-5-7(13(15,16)17)1-2-11(10)20-12/h1-6H
InChIKeyZIDUZMGPOUWMKA-UHFFFAOYSA-N
XLogP4.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.10
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Pyridyl)benzoxazole
CID 16803
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]butanamide
CID 1259054
2-[2-(2-Pyridinyl)-1,3-benzoxazol-5-yl]acetic acid
CID 1478216
(2E)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile
CID 5927487
2-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 659778
6-Methyl-2-pyridin-2-yl-benzooxazole
CID 646454
Benzoxazole, 2-(2-pyridinyl)-
CID 135005
2-(Pyridin-4-yl)-1,3-benzoxazole
CID 16804
2-(4-Bromophenyl)benzo(d)oxazole
CID 12846715
5-bromo-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]nicotinamide
CID 1295289

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole (CID 66880917) is 2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole is FC(F)(F)c1ccc2oc(-c3ccncc3Br)nc2c1.
What is the InChIKey of 2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is ZIDUZMGPOUWMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N2O/c14-9-6-18-4-3-8(9)12-19-10-5-7(13(15,16)17)1-2-11(10)20-12/h1-6H.
What are the key properties of 2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 343.10 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 66880917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).