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

C12H10ClIN2O2 — CID 49082320

IUPAC5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cc(Cl)ccc2I)on1
InChIInChI=1S/C12H10ClIN2O2/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)
InChIKeyMTFHBKJOMZWSCS-UHFFFAOYSA-N
MW376.58 g/mol
LogP3.17
Rot. Bonds3

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

5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 49082320) has the molecular formula C12H10ClIN2O2 and a molecular weight of 376.58 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID49082320
Molecular FormulaC12H10ClIN2O2
Molecular Weight376.58 g/mol
Exact Mass375.95
IUPAC Name5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cc(Cl)ccc2I)on1
InChIInChI=1S/C12H10ClIN2O2/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)
InChIKeyMTFHBKJOMZWSCS-UHFFFAOYSA-N
XLogP3.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 53.17
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
2-fluoro-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 55083145
2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 103996029
5-chloro-2-iodo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227109
2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114918320
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113231985
5-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113225215
5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114089461
2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 80718180
5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 52589331
4-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzoic acid
CID 55181754

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (CID 49082320) is 5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cc(Cl)ccc2I)on1.
What is the InChIKey of 5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is MTFHBKJOMZWSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2O2/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-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 376.58 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 49082320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).