3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide

C11H10IN3O2 — CID 112750930

IUPAC3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
SMILESCc1coc(NC(=O)c2cc(N)cc(I)c2)n1
InChIInChI=1S/C11H10IN3O2/c1-6-5-17-11(14-6)15-10(16)7-2-8(12)4-9(13)3-7/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyZLBTVVKMJNQECJ-UHFFFAOYSA-N
MW343.12 g/mol
LogP2.42
Rot. Bonds2

About 3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide

3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide (PubChem CID 112750930) has the molecular formula C11H10IN3O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is 3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
PubChem CID112750930
Molecular FormulaC11H10IN3O2
Molecular Weight343.12 g/mol
Exact Mass342.98
IUPAC Name3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
SMILESCc1coc(NC(=O)c2cc(N)cc(I)c2)n1
InChIInChI=1S/C11H10IN3O2/c1-6-5-17-11(14-6)15-10(16)7-2-8(12)4-9(13)3-7/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyZLBTVVKMJNQECJ-UHFFFAOYSA-N
XLogP2.42
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669415
5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide
CID 115669424
3-amino-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112750831
3-amino-5-iodo-N-propan-2-ylsulfonylbenzamide
CID 112750948
2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697501
3-amino-5-iodo-N-(5-methylhexyl)benzamide
CID 112750898
ethyl 4-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698293
3-fluoro-2-hydrazinyl-N-(4-methyl-1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 105388646
2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide
CID 107606088
N-(4-methyl-1,3-oxazol-2-yl)piperidine-1-carboxamide
CID 116658004
N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide
CID 115671093
1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116658005

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
The IUPAC name of 3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide (CID 112750930) is 3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
The canonical SMILES for 3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide is Cc1coc(NC(=O)c2cc(N)cc(I)c2)n1.
What is the InChIKey of 3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
The InChIKey is ZLBTVVKMJNQECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O2/c1-6-5-17-11(14-6)15-10(16)7-2-8(12)4-9(13)3-7/h2-5H,13H2,1H3,(H,14,15,16).
What are the key properties of 3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide?
3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide has a molecular weight of 343.12 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodo-N-(4-methyl-1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 112750930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).