N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide

C13H13IN2O3 — CID 104627877

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
SMILESCc1noc(C)c1CNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H13IN2O3/c1-7-10(8(2)19-16-7)6-15-13(18)9-3-4-11(14)12(17)5-9/h3-5,17H,6H2,1-2H3,(H,15,18)
InChIKeyWXTBXBQRTCWYAH-UHFFFAOYSA-N
MW372.16 g/mol
LogP2.53
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide (PubChem CID 104627877) has the molecular formula C13H13IN2O3 and a molecular weight of 372.16 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
PubChem CID104627877
Molecular FormulaC13H13IN2O3
Molecular Weight372.16 g/mol
Exact Mass372.00
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
SMILESCc1noc(C)c1CNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H13IN2O3/c1-7-10(8(2)19-16-7)6-15-13(18)9-3-4-11(14)12(17)5-9/h3-5,17H,6H2,1-2H3,(H,15,18)
InChIKeyWXTBXBQRTCWYAH-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
3-hydroxy-4-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104627817
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
CID 103707100
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
CID 112528639
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
3-hydroxy-4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104628303
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-nitrobenzamide
CID 47862981
3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 104629295
2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide
CID 78918282
3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104627777

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide (CID 104627877) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide is Cc1noc(C)c1CNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide?
The InChIKey is WXTBXBQRTCWYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3/c1-7-10(8(2)19-16-7)6-15-13(18)9-3-4-11(14)12(17)5-9/h3-5,17H,6H2,1-2H3,(H,15,18).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide has a molecular weight of 372.16 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).