(2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C21H20F3N3O3 — CID 90539882

IUPAC(2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C21H20F3N3O3/c1-2-29-16-8-7-13-5-3-4-6-15(13)17(16)19(28)27-11-9-14(10-12-27)18-25-26-20(30-18)21(22,23)24/h3-8,14H,2,9-12H2,1H3
InChIKeyBUCGRZAZZWPNHD-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.66
Rot. Bonds4

About (2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90539882) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90539882
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name(2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C21H20F3N3O3/c1-2-29-16-8-7-13-5-3-4-6-15(13)17(16)19(28)27-11-9-14(10-12-27)18-25-26-20(30-18)21(22,23)24/h3-8,14H,2,9-12H2,1H3
InChIKeyBUCGRZAZZWPNHD-UHFFFAOYSA-N
XLogP4.66
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone 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-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90539882) is (2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is CCOc1ccc2ccccc2c1C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is BUCGRZAZZWPNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-2-29-16-8-7-13-5-3-4-6-15(13)17(16)19(28)27-11-9-14(10-12-27)18-25-26-20(30-18)21(22,23)24/h3-8,14H,2,9-12H2,1H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 419.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90539882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).