3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide

C13H13IN2O3 — CID 104630729

IUPAC3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(I)c(O)c2)o1
InChIInChI=1S/C13H13IN2O3/c1-7-6-15-13(19-7)8(2)16-12(18)9-3-4-10(14)11(17)5-9/h3-6,8,17H,1-2H3,(H,16,18)
InChIKeyLPSPUCCAAIGAKX-UHFFFAOYSA-N
MW372.16 g/mol
LogP2.78
Rot. Bonds3

About 3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide

3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (PubChem CID 104630729) has the molecular formula C13H13IN2O3 and a molecular weight of 372.16 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
PubChem CID104630729
Molecular FormulaC13H13IN2O3
Molecular Weight372.16 g/mol
Exact Mass372.00
IUPAC Name3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(I)c(O)c2)o1
InChIInChI=1S/C13H13IN2O3/c1-7-6-15-13(19-7)8(2)16-12(18)9-3-4-10(14)11(17)5-9/h3-6,8,17H,1-2H3,(H,16,18)
InChIKeyLPSPUCCAAIGAKX-UHFFFAOYSA-N
XLogP2.78
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103958365
3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103950224
2-hydroxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949071
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389742
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 106390062
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389570
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 103948958
2-amino-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389806
2-chloro-6-(methylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 103948959
3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114103230
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
CID 104627869

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (CID 104630729) is 3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is Cc1cnc(C(C)NC(=O)c2ccc(I)c(O)c2)o1.
What is the InChIKey of 3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The InChIKey is LPSPUCCAAIGAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3/c1-7-6-15-13(19-7)8(2)16-12(18)9-3-4-10(14)11(17)5-9/h3-6,8,17H,1-2H3,(H,16,18).
What are the key properties of 3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide has a molecular weight of 372.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 104630729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).