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

C13H6ClF3N2O — CID 66880978

IUPAC4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2oc(-c3ccncc3)nc2c1Cl
InChIInChI=1S/C13H6ClF3N2O/c14-10-8(13(15,16)17)1-2-9-11(10)19-12(20-9)7-3-5-18-6-4-7/h1-6H
InChIKeyYQUFFZVXXZJKRD-UHFFFAOYSA-N
MW298.65 g/mol
LogP4.56
Rot. Bonds1

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

4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 66880978) has the molecular formula C13H6ClF3N2O and a molecular weight of 298.65 g/mol. Its IUPAC name is 4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID66880978
Molecular FormulaC13H6ClF3N2O
Molecular Weight298.65 g/mol
Exact Mass298.01
IUPAC Name4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2oc(-c3ccncc3)nc2c1Cl
InChIInChI=1S/C13H6ClF3N2O/c14-10-8(13(15,16)17)1-2-9-11(10)19-12(20-9)7-3-5-18-6-4-7/h1-6H
InChIKeyYQUFFZVXXZJKRD-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole (CID 66880978) is 4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole is FC(F)(F)c1ccc2oc(-c3ccncc3)nc2c1Cl.
What is the InChIKey of 4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is YQUFFZVXXZJKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O/c14-10-8(13(15,16)17)1-2-9-11(10)19-12(20-9)7-3-5-18-6-4-7/h1-6H.
What are the key properties of 4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole?
4-chloro-2-pyridin-4-yl-5-(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 4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 66880978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).