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

C11H8FIN2O2 — CID 79766728

IUPACN-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2I)no1
InChIInChI=1S/C11H8FIN2O2/c1-6-4-10(15-17-6)11(16)14-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H,14,16)
InChIKeyJWWWNDKAJIVYEM-UHFFFAOYSA-N
MW346.10 g/mol
LogP2.98
Rot. Bonds2

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

N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 79766728) has the molecular formula C11H8FIN2O2 and a molecular weight of 346.10 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID79766728
Molecular FormulaC11H8FIN2O2
Molecular Weight346.10 g/mol
Exact Mass345.96
IUPAC NameN-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2I)no1
InChIInChI=1S/C11H8FIN2O2/c1-6-4-10(15-17-6)11(16)14-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H,14,16)
InChIKeyJWWWNDKAJIVYEM-UHFFFAOYSA-N
XLogP2.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 52.98
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
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 55159058
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66156540
2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
CID 109101087
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113330182
N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide
CID 79766212
5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 81316083
N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103737179
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 79766728) is N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2I)no1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JWWWNDKAJIVYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O2/c1-6-4-10(15-17-6)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-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 346.10 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79766728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).