N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide

C11H8ClIN2O2 — CID 103766730

IUPACN-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2I)on1
InChIInChI=1S/C11H8ClIN2O2/c1-6-4-10(17-15-6)11(16)14-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H,14,16)
InChIKeyZUWALVZGPNGABB-UHFFFAOYSA-N
MW362.55 g/mol
LogP3.49
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 103766730) has the molecular formula C11H8ClIN2O2 and a molecular weight of 362.55 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID103766730
Molecular FormulaC11H8ClIN2O2
Molecular Weight362.55 g/mol
Exact Mass361.93
IUPAC NameN-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2I)on1
InChIInChI=1S/C11H8ClIN2O2/c1-6-4-10(17-15-6)11(16)14-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H,14,16)
InChIKeyZUWALVZGPNGABB-UHFFFAOYSA-N
XLogP3.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.55
LogP ≤ 53.49
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-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880181
N-(4-chloro-2-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 113257836
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 113257804
N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881032
2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 63722414
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868329
5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide
CID 103766854
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 62915057

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 103766730) is N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2I)on1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ZUWALVZGPNGABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2O2/c1-6-4-10(17-15-6)11(16)14-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H,14,16).
What are the key properties of N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 362.55 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 103766730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).