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

C16H15BrF3N3O3 — CID 90539804

IUPAC(2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)c1
InChIInChI=1S/C16H15BrF3N3O3/c1-25-10-2-3-12(17)11(8-10)14(24)23-6-4-9(5-7-23)13-21-22-15(26-13)16(18,19)20/h2-3,8-9H,4-7H2,1H3
InChIKeyGJNONCAILNQUAP-UHFFFAOYSA-N
MW434.21 g/mol
LogP3.88
Rot. Bonds3

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

(2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90539804) has the molecular formula C16H15BrF3N3O3 and a molecular weight of 434.21 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90539804
Molecular FormulaC16H15BrF3N3O3
Molecular Weight434.21 g/mol
Exact Mass433.02
IUPAC Name(2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)c1
InChIInChI=1S/C16H15BrF3N3O3/c1-25-10-2-3-12(17)11(8-10)14(24)23-6-4-9(5-7-23)13-21-22-15(26-13)16(18,19)20/h2-3,8-9H,4-7H2,1H3
InChIKeyGJNONCAILNQUAP-UHFFFAOYSA-N
XLogP3.88
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-bromo-5-methoxyphenyl)-[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

Related Compounds

methyl 4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzoate
CID 90539808
(2,4-dichlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539863
(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62085963
(3-methoxy-2-methylindazol-6-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539997
(3,5-dimethylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539839
(4-methoxyphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540104
(2-bromo-5-methoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550754
1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038523
2-[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542567
N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540009
(2-bromo-5-methoxyphenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585180
(2-bromo-5-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261775

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90539804) is (2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is COc1ccc(Br)c(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is GJNONCAILNQUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N3O3/c1-25-10-2-3-12(17)11(8-10)14(24)23-6-4-9(5-7-23)13-21-22-15(26-13)16(18,19)20/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 434.21 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90539804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).