5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole

C10H10BrF2N3O — CID 164719107

IUPAC5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole
SMILESCn1cc(Cc2cc(CC(F)F)no2)c(Br)n1
InChIInChI=1S/C10H10BrF2N3O/c1-16-5-6(10(11)14-16)2-8-3-7(15-17-8)4-9(12)13/h3,5,9H,2,4H2,1H3
InChIKeyODAFPRDUZNJXJW-UHFFFAOYSA-N
MW306.11 g/mol
LogP2.57
Rot. Bonds4

About 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole

5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole (PubChem CID 164719107) has the molecular formula C10H10BrF2N3O and a molecular weight of 306.11 g/mol. Its IUPAC name is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole
PubChem CID164719107
Molecular FormulaC10H10BrF2N3O
Molecular Weight306.11 g/mol
Exact Mass305.00
IUPAC Name5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole
SMILESCn1cc(Cc2cc(CC(F)F)no2)c(Br)n1
InChIInChI=1S/C10H10BrF2N3O/c1-16-5-6(10(11)14-16)2-8-3-7(15-17-8)4-9(12)13/h3,5,9H,2,4H2,1H3
InChIKeyODAFPRDUZNJXJW-UHFFFAOYSA-N
XLogP2.57
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole?
The IUPAC name of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole (CID 164719107) is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole.
What is the SMILES notation for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole?
The canonical SMILES for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole is Cn1cc(Cc2cc(CC(F)F)no2)c(Br)n1.
What is the InChIKey of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole?
The InChIKey is ODAFPRDUZNJXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3O/c1-16-5-6(10(11)14-16)2-8-3-7(15-17-8)4-9(12)13/h3,5,9H,2,4H2,1H3.
What are the key properties of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole?
5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole has a molecular weight of 306.11 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole is sourced from PubChem (CID 164719107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).