5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole

C13H6ClF3N2O — CID 66880218

IUPAC5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1cc2oc(-c3ccncc3)nc2cc1Cl
InChIInChI=1S/C13H6ClF3N2O/c14-9-6-10-11(5-8(9)13(15,16)17)20-12(19-10)7-1-3-18-4-2-7/h1-6H
InChIKeyFQQOBPPMNFIMNO-UHFFFAOYSA-N
MW298.65 g/mol
LogP4.56
Rot. Bonds1

About 5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole

5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 66880218) has the molecular formula C13H6ClF3N2O and a molecular weight of 298.65 g/mol. Its IUPAC name is 5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole
PubChem CID66880218
Molecular FormulaC13H6ClF3N2O
Molecular Weight298.65 g/mol
Exact Mass298.01
IUPAC Name5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1cc2oc(-c3ccncc3)nc2cc1Cl
InChIInChI=1S/C13H6ClF3N2O/c14-9-6-10-11(5-8(9)13(15,16)17)20-12(19-10)7-1-3-18-4-2-7/h1-6H
InChIKeyFQQOBPPMNFIMNO-UHFFFAOYSA-N
XLogP4.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 66880978
5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole
CID 86651046
2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole
CID 134297312
2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole
CID 58148180
2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride
CID 82358057
4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 163494197
4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
CID 620912
2-pyridin-4-yl-1,3-benzoxazol-5-amine
CID 736009
4-(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
CID 82233187
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-(4-methylphenyl)-7-[2-[4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 170372832
(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296649

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole (CID 66880218) is 5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole is FC(F)(F)c1cc2oc(-c3ccncc3)nc2cc1Cl.
What is the InChIKey of 5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is FQQOBPPMNFIMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O/c14-9-6-10-11(5-8(9)13(15,16)17)20-12(19-10)7-1-3-18-4-2-7/h1-6H.
What are the key properties of 5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole?
5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 298.65 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 66880218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).