2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

C13H18F3N3O2 — CID 171994538

IUPAC2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOC1(C(F)(F)F)CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C13H18F3N3O2/c1-20-12(13(14,15)16)4-6-19(7-5-12)8-10-17-18-11(21-10)9-2-3-9/h9H,2-8H2,1H3
InChIKeyIJKCPBLXAMLXSZ-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.49
Rot. Bonds4

About 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 171994538) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID171994538
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOC1(C(F)(F)F)CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C13H18F3N3O2/c1-20-12(13(14,15)16)4-6-19(7-5-12)8-10-17-18-11(21-10)9-2-3-9/h9H,2-8H2,1H3
InChIKeyIJKCPBLXAMLXSZ-UHFFFAOYSA-N
XLogP2.49
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 154565043
1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 47520358
(2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95308399
2-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56820809
1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70719989
2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 75463945
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325
cyclopropyl-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 171993029
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine
CID 171337755
2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 47704652
2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520892

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 171994538) is 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is COC1(C(F)(F)F)CCN(Cc2nnc(C3CC3)o2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is IJKCPBLXAMLXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-20-12(13(14,15)16)4-6-19(7-5-12)8-10-17-18-11(21-10)9-2-3-9/h9H,2-8H2,1H3.
What are the key properties of 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 305.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 171994538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).