4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide

C17H20IN3O2 — CID 55622264

IUPAC4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
SMILESCc1nc(C2(NC(=O)c3ccc(I)cc3)CCCCCC2)no1
InChIInChI=1S/C17H20IN3O2/c1-12-19-16(21-23-12)17(10-4-2-3-5-11-17)20-15(22)13-6-8-14(18)9-7-13/h6-9H,2-5,10-11H2,1H3,(H,20,22)
InChIKeyPFYXXFGHRDJVNU-UHFFFAOYSA-N
MW425.27 g/mol
LogP3.96
Rot. Bonds3

About 4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide

4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide (PubChem CID 55622264) has the molecular formula C17H20IN3O2 and a molecular weight of 425.27 g/mol. Its IUPAC name is 4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
PubChem CID55622264
Molecular FormulaC17H20IN3O2
Molecular Weight425.27 g/mol
Exact Mass425.06
IUPAC Name4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
SMILESCc1nc(C2(NC(=O)c3ccc(I)cc3)CCCCCC2)no1
InChIInChI=1S/C17H20IN3O2/c1-12-19-16(21-23-12)17(10-4-2-3-5-11-17)20-15(22)13-6-8-14(18)9-7-13/h6-9H,2-5,10-11H2,1H3,(H,20,22)
InChIKeyPFYXXFGHRDJVNU-UHFFFAOYSA-N
XLogP3.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 60559986
3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]furan-2-carboxamide
CID 35781226
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86982746
methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate
CID 60559915
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55622435
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 31164000
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]pyrazine-2-carboxamide
CID 33357885
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55537901

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide?
The IUPAC name of 4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide (CID 55622264) is 4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide.
What is the SMILES notation for 4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide?
The canonical SMILES for 4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide is Cc1nc(C2(NC(=O)c3ccc(I)cc3)CCCCCC2)no1.
What is the InChIKey of 4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide?
The InChIKey is PFYXXFGHRDJVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3O2/c1-12-19-16(21-23-12)17(10-4-2-3-5-11-17)20-15(22)13-6-8-14(18)9-7-13/h6-9H,2-5,10-11H2,1H3,(H,20,22).
What are the key properties of 4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide?
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide has a molecular weight of 425.27 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide is sourced from PubChem (CID 55622264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).