6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole

C17H14F3N3O2 — CID 71657083

IUPAC6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole
SMILESFC(F)(F)c1cc(-c2nc3ccc([C@@H]4CNCCO4)cc3o2)ccn1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)15-8-11(3-4-22-15)16-23-12-2-1-10(7-13(12)25-16)14-9-21-5-6-24-14/h1-4,7-8,14,21H,5-6,9H2/t14-/m0/s1
InChIKeyDAHFQRHOYHCOAT-AWEZNQCLSA-N
MW349.31 g/mol
LogP3.57
Rot. Bonds2

About 6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole

6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole (PubChem CID 71657083) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole
PubChem CID71657083
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole
SMILESFC(F)(F)c1cc(-c2nc3ccc([C@@H]4CNCCO4)cc3o2)ccn1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)15-8-11(3-4-22-15)16-23-12-2-1-10(7-13(12)25-16)14-9-21-5-6-24-14/h1-4,7-8,14,21H,5-6,9H2/t14-/m0/s1
InChIKeyDAHFQRHOYHCOAT-AWEZNQCLSA-N
XLogP3.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole (CID 71657083) is 6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole is FC(F)(F)c1cc(-c2nc3ccc([C@@H]4CNCCO4)cc3o2)ccn1.
What is the InChIKey of 6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole?
The InChIKey is DAHFQRHOYHCOAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)15-8-11(3-4-22-15)16-23-12-2-1-10(7-13(12)25-16)14-9-21-5-6-24-14/h1-4,7-8,14,21H,5-6,9H2/t14-/m0/s1.
What are the key properties of 6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole?
6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole has a molecular weight of 349.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-morpholin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 71657083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).