7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole

C15H11F3N2O2 — CID 89479059

IUPAC7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(OCC(F)(F)F)noc12
InChIInChI=1S/C15H11F3N2O2/c1-9-5-6-19-7-12(9)10-3-2-4-11-13(10)22-20-14(11)21-8-15(16,17)18/h2-7H,8H2,1H3
InChIKeyWMAOBFPQPVSRDL-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.14
Rot. Bonds3

About 7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole

7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole (PubChem CID 89479059) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole.

Molecular Properties

Compound Name7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole
PubChem CID89479059
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(OCC(F)(F)F)noc12
InChIInChI=1S/C15H11F3N2O2/c1-9-5-6-19-7-12(9)10-3-2-4-11-13(10)22-20-14(11)21-8-15(16,17)18/h2-7H,8H2,1H3
InChIKeyWMAOBFPQPVSRDL-UHFFFAOYSA-N
XLogP4.14
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole?
The IUPAC name of 7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole (CID 89479059) is 7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole.
What is the SMILES notation for 7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole?
The canonical SMILES for 7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole is Cc1ccncc1-c1cccc2c(OCC(F)(F)F)noc12.
What is the InChIKey of 7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole?
The InChIKey is WMAOBFPQPVSRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-9-5-6-19-7-12(9)10-3-2-4-11-13(10)22-20-14(11)21-8-15(16,17)18/h2-7H,8H2,1H3.
What are the key properties of 7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole?
7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole has a molecular weight of 308.26 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole is sourced from PubChem (CID 89479059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).