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

C12H10BrIN2O2 — CID 113246934

IUPAC5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(Br)ccc2I)o1
InChIInChI=1S/C12H10BrIN2O2/c1-7-5-15-11(18-7)6-16-12(17)9-4-8(13)2-3-10(9)14/h2-5H,6H2,1H3,(H,16,17)
InChIKeyPKKZQGJOPIGBKF-UHFFFAOYSA-N
MW421.03 g/mol
LogP3.28
Rot. Bonds3

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

5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 113246934) has the molecular formula C12H10BrIN2O2 and a molecular weight of 421.03 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID113246934
Molecular FormulaC12H10BrIN2O2
Molecular Weight421.03 g/mol
Exact Mass419.90
IUPAC Name5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(Br)ccc2I)o1
InChIInChI=1S/C12H10BrIN2O2/c1-7-5-15-11(18-7)6-16-12(17)9-4-8(13)2-3-10(9)14/h2-5H,6H2,1H3,(H,16,17)
InChIKeyPKKZQGJOPIGBKF-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

2,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 104919948
5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368587
2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113339241
5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 113227424
5-bromo-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896855
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
2-fluoro-4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 104929891
5-fluoro-2-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 103739171
methyl 5-[[(5-bromo-2-iodobenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 55612426
5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 47099593
5-bromo-2-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721244

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (CID 113246934) is 5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2cc(Br)ccc2I)o1.
What is the InChIKey of 5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is PKKZQGJOPIGBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2O2/c1-7-5-15-11(18-7)6-16-12(17)9-4-8(13)2-3-10(9)14/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-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-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 113246934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).