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

C22H22IN3O2 — CID 2240067

IUPACN-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(c1ccc(I)cc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C22H22IN3O2/c23-18-13-11-17(12-14-18)22(27)26(19-9-5-2-6-10-19)15-20-24-21(25-28-20)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
InChIKeyPXLBCIILRWFLTJ-UHFFFAOYSA-N
MW487.34 g/mol
LogP5.32
Rot. Bonds5

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

N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 2240067) has the molecular formula C22H22IN3O2 and a molecular weight of 487.34 g/mol. Its IUPAC name is N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID2240067
Molecular FormulaC22H22IN3O2
Molecular Weight487.34 g/mol
Exact Mass487.08
IUPAC NameN-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(c1ccc(I)cc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C22H22IN3O2/c23-18-13-11-17(12-14-18)22(27)26(19-9-5-2-6-10-19)15-20-24-21(25-28-20)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
InChIKeyPXLBCIILRWFLTJ-UHFFFAOYSA-N
XLogP5.32
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635
4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835715
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitrobenzamide
CID 8836075
N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8874575
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8875131
(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 7679002
N-cyclohexyl-2-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835592
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 43889677
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclohexyl-3,5-dimethylbenzamide
CID 8875279
N-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83285265
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 7356916

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 2240067) is N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is O=C(c1ccc(I)cc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is PXLBCIILRWFLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22IN3O2/c23-18-13-11-17(12-14-18)22(27)26(19-9-5-2-6-10-19)15-20-24-21(25-28-20)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2.
What are the key properties of N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 487.34 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 2240067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).