methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate

C13H11BrClNO4 — CID 19616482

IUPACmethyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(C)c1COc1ccc(Cl)cc1Br
InChIInChI=1S/C13H11BrClNO4/c1-7-9(12(16-20-7)13(17)18-2)6-19-11-4-3-8(15)5-10(11)14/h3-5H,6H2,1-2H3
InChIKeyUZXMCBIZNKOPGN-UHFFFAOYSA-N
MW360.59 g/mol
LogP3.76
Rot. Bonds4

About methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate

methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate (PubChem CID 19616482) has the molecular formula C13H11BrClNO4 and a molecular weight of 360.59 g/mol. Its IUPAC name is methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate
PubChem CID19616482
Molecular FormulaC13H11BrClNO4
Molecular Weight360.59 g/mol
Exact Mass358.96
IUPAC Namemethyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1noc(C)c1COc1ccc(Cl)cc1Br
InChIInChI=1S/C13H11BrClNO4/c1-7-9(12(16-20-7)13(17)18-2)6-19-11-4-3-8(15)5-10(11)14/h3-5H,6H2,1-2H3
InChIKeyUZXMCBIZNKOPGN-UHFFFAOYSA-N
XLogP3.76
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

N-(2,4-dichlorophenyl)-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490378
4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443404
methyl 4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 50896490
N-(5-chloro-2-pyridinyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484152
N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483868
4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623167
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492810
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443960

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate (CID 19616482) is methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate is COC(=O)c1noc(C)c1COc1ccc(Cl)cc1Br.
What is the InChIKey of methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is UZXMCBIZNKOPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO4/c1-7-9(12(16-20-7)13(17)18-2)6-19-11-4-3-8(15)5-10(11)14/h3-5H,6H2,1-2H3.
What are the key properties of methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate?
methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 360.59 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-bromo-4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 19616482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).