2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole

C12H11F3N2O2 — CID 81197827

IUPAC2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2oc(C3CNCCO3)nc2c1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)7-1-2-9-8(5-7)17-11(19-9)10-6-16-3-4-18-10/h1-2,5,10,16H,3-4,6H2
InChIKeyMNHZGYRRYVIFOL-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.51
Rot. Bonds1

About 2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole

2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 81197827) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID81197827
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2oc(C3CNCCO3)nc2c1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)7-1-2-9-8(5-7)17-11(19-9)10-6-16-3-4-18-10/h1-2,5,10,16H,3-4,6H2
InChIKeyMNHZGYRRYVIFOL-UHFFFAOYSA-N
XLogP2.51
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole (CID 81197827) is 2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole is FC(F)(F)c1ccc2oc(C3CNCCO3)nc2c1.
What is the InChIKey of 2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is MNHZGYRRYVIFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)7-1-2-9-8(5-7)17-11(19-9)10-6-16-3-4-18-10/h1-2,5,10,16H,3-4,6H2.
What are the key properties of 2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?
2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 272.23 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 81197827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).