5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole

C9H10BrN3O — CID 75356273

IUPAC5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
SMILESCc1c(-c2cc(CBr)on2)cnn1C
InChIInChI=1S/C9H10BrN3O/c1-6-8(5-11-13(6)2)9-3-7(4-10)14-12-9/h3,5H,4H2,1-2H3
InChIKeyUTRCMPFPUJQDHA-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.28
Rot. Bonds2

About 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole

5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole (PubChem CID 75356273) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
PubChem CID75356273
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
SMILESCc1c(-c2cc(CBr)on2)cnn1C
InChIInChI=1S/C9H10BrN3O/c1-6-8(5-11-13(6)2)9-3-7(4-10)14-12-9/h3,5H,4H2,1-2H3
InChIKeyUTRCMPFPUJQDHA-UHFFFAOYSA-N
XLogP2.28
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole 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

(3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazol-5-yl)methanamine
CID 45602050
3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole
CID 141279437
3-(4-fluorophenyl)-5-methyl-4-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole
CID 141279448
5-(1,5-dimethyl-1H-pyrazol-4-yl)isoxazole
CID 7016452
5-(1,3-Dimethyl-1H-pyrazol-4-YL)isoxazole
CID 19583686
N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine
CID 86795252
1-[[3-(1,5-Dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-fluoropyridin-2-one
CID 99831501
cis-(1S,2R)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 126805022
3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazol-5-amine
CID 165667097
3-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]-1,2-oxazol-5-amine
CID 165742938
N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 167809405
3,5-Bis(1,3-dimethylpyrazol-4-yl)-4-methylisoxazole
CID 19588235

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole (CID 75356273) is 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole is Cc1c(-c2cc(CBr)on2)cnn1C.
What is the InChIKey of 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is UTRCMPFPUJQDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-6-8(5-11-13(6)2)9-3-7(4-10)14-12-9/h3,5H,4H2,1-2H3.
What are the key properties of 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole?
5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 256.10 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 75356273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).