N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C12H10BrIN2O2 — CID 113247217

IUPACN-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(Br)ccc2I)o1
InChIInChI=1S/C12H10BrIN2O2/c1-6-11(18-7(2)15-6)12(17)16-10-5-8(13)3-4-9(10)14/h3-5H,1-2H3,(H,16,17)
InChIKeyWIYZAGHIGFOIJQ-UHFFFAOYSA-N
MW421.03 g/mol
LogP3.91
Rot. Bonds2

About N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 113247217) has the molecular formula C12H10BrIN2O2 and a molecular weight of 421.03 g/mol. Its IUPAC name is N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID113247217
Molecular FormulaC12H10BrIN2O2
Molecular Weight421.03 g/mol
Exact Mass419.90
IUPAC NameN-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(Br)ccc2I)o1
InChIInChI=1S/C12H10BrIN2O2/c1-6-11(18-7(2)15-6)12(17)16-10-5-8(13)3-4-9(10)14/h3-5H,1-2H3,(H,16,17)
InChIKeyWIYZAGHIGFOIJQ-UHFFFAOYSA-N
XLogP3.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.03
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82708535
N-(2-bromo-5-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113249343
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82697347
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 102674320
N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026213
N-(5-bromo-2-iodophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366812
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82861939

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 113247217) is N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cc(Br)ccc2I)o1.
What is the InChIKey of N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is WIYZAGHIGFOIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2O2/c1-6-11(18-7(2)15-6)12(17)16-10-5-8(13)3-4-9(10)14/h3-5H,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 421.03 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 113247217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).