2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C12H12IN3O2 — CID 31691858

IUPAC2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNc2ccccc2I)on1
InChIInChI=1S/C12H12IN3O2/c1-8-6-12(18-16-8)15-11(17)7-14-10-5-3-2-4-9(10)13/h2-6,14H,7H2,1H3,(H,15,17)
InChIKeySQJKMJQXVYQXGG-UHFFFAOYSA-N
MW357.15 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 31691858) has the molecular formula C12H12IN3O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID31691858
Molecular FormulaC12H12IN3O2
Molecular Weight357.15 g/mol
Exact Mass357.00
IUPAC Name2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNc2ccccc2I)on1
InChIInChI=1S/C12H12IN3O2/c1-8-6-12(18-16-8)15-11(17)7-14-10-5-3-2-4-9(10)13/h2-6,14H,7H2,1H3,(H,15,17)
InChIKeySQJKMJQXVYQXGG-UHFFFAOYSA-N
XLogP2.64
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16624216
2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31673888
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31693977
2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 18096510
N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide
CID 26506677
N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide
CID 45284604
2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31678260
2-(1H-indol-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 43420110
2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26506643
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31697715
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
N-(3-methyl-1,2-oxazol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 47138005

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 31691858) is 2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CNc2ccccc2I)on1.
What is the InChIKey of 2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is SQJKMJQXVYQXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2/c1-8-6-12(18-16-8)15-11(17)7-14-10-5-3-2-4-9(10)13/h2-6,14H,7H2,1H3,(H,15,17).
What are the key properties of 2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 357.15 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 31691858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).