5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide

C12H10BrIN2O2 — CID 113227424

IUPAC5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cc(Br)ccc2I)on1
InChIInChI=1S/C12H10BrIN2O2/c1-7-4-9(18-16-7)6-15-12(17)10-5-8(13)2-3-11(10)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyJQYKTIFMGCBJPV-UHFFFAOYSA-N
MW421.03 g/mol
LogP3.28
Rot. Bonds3

About 5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide

5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 113227424) has the molecular formula C12H10BrIN2O2 and a molecular weight of 421.03 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID113227424
Molecular FormulaC12H10BrIN2O2
Molecular Weight421.03 g/mol
Exact Mass419.90
IUPAC Name5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cc(Br)ccc2I)on1
InChIInChI=1S/C12H10BrIN2O2/c1-7-4-9(18-16-7)6-15-12(17)10-5-8(13)2-3-11(10)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyJQYKTIFMGCBJPV-UHFFFAOYSA-N
XLogP3.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.03
LogP ≤ 53.28
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

5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 49082320
2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 103996029
5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103941177
2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 62185478
methyl 5-[[(5-bromo-2-iodobenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 55612426
5-bromo-2-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721244
5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113246934
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 47099593
2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 80718180
2-fluoro-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 55083145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (CID 113227424) is 5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cc(Br)ccc2I)on1.
What is the InChIKey of 5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is JQYKTIFMGCBJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2O2/c1-7-4-9(18-16-7)6-15-12(17)10-5-8(13)2-3-11(10)14/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of 5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 421.03 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 113227424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).