2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone

C20H19F3N6O3 — CID 3736388

IUPAC2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCOC(COc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H19F3N6O3/c21-20(22,23)15-6-7-17(24-10-15)32-13-16-11-28(8-9-31-16)18(30)12-29-26-19(25-27-29)14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2
InChIKeyVXWMPWXIIQMTRO-UHFFFAOYSA-N
MW448.41 g/mol
LogP2.06
Rot. Bonds6

About 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone

2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone (PubChem CID 3736388) has the molecular formula C20H19F3N6O3 and a molecular weight of 448.41 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
PubChem CID3736388
Molecular FormulaC20H19F3N6O3
Molecular Weight448.41 g/mol
Exact Mass448.15
IUPAC Name2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCOC(COc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H19F3N6O3/c21-20(22,23)15-6-7-17(24-10-15)32-13-16-11-28(8-9-31-16)18(30)12-29-26-19(25-27-29)14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2
InChIKeyVXWMPWXIIQMTRO-UHFFFAOYSA-N
XLogP2.06
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone (CID 3736388) is 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone is O=C(Cn1nnc(-c2ccccc2)n1)N1CCOC(COc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone?
The InChIKey is VXWMPWXIIQMTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3/c21-20(22,23)15-6-7-17(24-10-15)32-13-16-11-28(8-9-31-16)18(30)12-29-26-19(25-27-29)14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2.
What are the key properties of 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone?
2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone has a molecular weight of 448.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 3736388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).