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

C12H10BrIN2O2 — CID 103996029

IUPAC2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cc(I)ccc2Br)on1
InChIInChI=1S/C12H10BrIN2O2/c1-7-4-9(18-16-7)6-15-12(17)10-5-8(14)2-3-11(10)13/h2-5H,6H2,1H3,(H,15,17)
InChIKeyILIYOBHTTRIGJB-UHFFFAOYSA-N
MW421.03 g/mol
LogP3.28
Rot. Bonds3

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

2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 103996029) has the molecular formula C12H10BrIN2O2 and a molecular weight of 421.03 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID103996029
Molecular FormulaC12H10BrIN2O2
Molecular Weight421.03 g/mol
Exact Mass419.90
IUPAC Name2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cc(I)ccc2Br)on1
InChIInChI=1S/C12H10BrIN2O2/c1-7-4-9(18-16-7)6-15-12(17)10-5-8(14)2-3-11(10)13/h2-5H,6H2,1H3,(H,15,17)
InChIKeyILIYOBHTTRIGJB-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-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 113227424
5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 49082320
2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 80718180
2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 113362963
2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399945
2-bromo-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113363237
2-fluoro-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 55083145
2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 62185478
2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103995758
2-bromo-5-iodo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103994456
2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114918320
2-bromo-5-iodobenzohydrazide
CID 3623021

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (CID 103996029) is 2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cc(I)ccc2Br)on1.
What is the InChIKey of 2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is ILIYOBHTTRIGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2O2/c1-7-4-9(18-16-7)6-15-12(17)10-5-8(14)2-3-11(10)13/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of 2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
2-bromo-5-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 2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 103996029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).