5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

C17H16BrN3O2 — CID 664814

IUPAC5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1
InChIInChI=1S/C17H16BrN3O2/c1-11(2)12-6-7-15(13(18)9-12)22-10-16-20-17(21-23-16)14-5-3-4-8-19-14/h3-9,11H,10H2,1-2H3
InChIKeyDHAVRAFTIHOFPT-UHFFFAOYSA-N
MW374.24 g/mol
LogP4.60
Rot. Bonds5

About 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 664814) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID664814
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1
InChIInChI=1S/C17H16BrN3O2/c1-11(2)12-6-7-15(13(18)9-12)22-10-16-20-17(21-23-16)14-5-3-4-8-19-14/h3-9,11H,10H2,1-2H3
InChIKeyDHAVRAFTIHOFPT-UHFFFAOYSA-N
XLogP4.60
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-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

N-isopropyl-2-(4-propylphenoxy)-N-((3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 56945245
3-{5-[(2-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 874555
4-[5-(Phenoxymethyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2274654
5-[(2-Bromo-4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2269543
2-(4-Butylphenoxy)-N-(1-methylethyl)-N-[[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 66551334
2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 66551335
2-(4-hexylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 66551532
N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 66551729
2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 66551730
2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 68326516
2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 71663845
2-(4-Ethylphenoxy)-N-isopropyl-N-((3-pyridin-3-yl)1,2,4-oxadiazol-5-yl)methylacetamide
CID 71664034

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 664814) is 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is CC(C)c1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1.
What is the InChIKey of 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is DHAVRAFTIHOFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-11(2)12-6-7-15(13(18)9-12)22-10-16-20-17(21-23-16)14-5-3-4-8-19-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 374.24 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 664814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).