5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide

C11H8BrIN2O2 — CID 103941177

IUPAC5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccno1)c1cc(Br)ccc1I
InChIInChI=1S/C11H8BrIN2O2/c12-7-1-2-10(13)9(5-7)11(16)14-6-8-3-4-15-17-8/h1-5H,6H2,(H,14,16)
InChIKeyVOJBQGNJJBOOJW-UHFFFAOYSA-N
MW407.01 g/mol
LogP2.97
Rot. Bonds3

About 5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide

5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 103941177) has the molecular formula C11H8BrIN2O2 and a molecular weight of 407.01 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID103941177
Molecular FormulaC11H8BrIN2O2
Molecular Weight407.01 g/mol
Exact Mass405.88
IUPAC Name5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccno1)c1cc(Br)ccc1I
InChIInChI=1S/C11H8BrIN2O2/c12-7-1-2-10(13)9(5-7)11(16)14-6-8-3-4-15-17-8/h1-5H,6H2,(H,14,16)
InChIKeyVOJBQGNJJBOOJW-UHFFFAOYSA-N
XLogP2.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.01
LogP ≤ 52.97
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-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600436
5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 113227424
5-bromo-2-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 47099593
5-bromo-2-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721244
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106423276
methyl 5-[[(5-bromo-2-iodobenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 55612426
5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113246934
2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106415796
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 103941177) is 5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide is O=C(NCc1ccno1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is VOJBQGNJJBOOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrIN2O2/c12-7-1-2-10(13)9(5-7)11(16)14-6-8-3-4-15-17-8/h1-5H,6H2,(H,14,16).
What are the key properties of 5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide?
5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 407.01 g/mol, XLogP of 2.97, 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-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 103941177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).