4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole

C15H12BrN3O2 — CID 42629653

IUPAC4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1COc1ccc(Br)nn1
InChIInChI=1S/C15H12BrN3O2/c1-10-12(9-20-14-8-7-13(16)17-18-14)15(19-21-10)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyINJRFBOKGMGBBS-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.78
Rot. Bonds4

About 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole

4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 42629653) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
PubChem CID42629653
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1COc1ccc(Br)nn1
InChIInChI=1S/C15H12BrN3O2/c1-10-12(9-20-14-8-7-13(16)17-18-14)15(19-21-10)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyINJRFBOKGMGBBS-UHFFFAOYSA-N
XLogP3.78
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-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

ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate
CID 42630377
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide
CID 87459442
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604405
N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629807
N-cyclopropyl-6-[(5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxamide
CID 67158115
3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 46896985
4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 134588395
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine
CID 158854945
4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole
CID 68883684

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole (CID 42629653) is 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1COc1ccc(Br)nn1.
What is the InChIKey of 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is INJRFBOKGMGBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-10-12(9-20-14-8-7-13(16)17-18-14)15(19-21-10)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole?
4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 346.18 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 42629653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).