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

C20H13IN4O2 — CID 30329649

IUPAC2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1ccccc1I
InChIInChI=1S/C20H13IN4O2/c21-16-7-3-1-5-14(16)19(26)23-17-8-4-2-6-15(17)20-24-18(25-27-20)13-9-11-22-12-10-13/h1-12H,(H,23,26)
InChIKeyGOSGQSORSXVPIS-UHFFFAOYSA-N
MW468.25 g/mol
LogP4.66
Rot. Bonds4

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

2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 30329649) has the molecular formula C20H13IN4O2 and a molecular weight of 468.25 g/mol. Its IUPAC name is 2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID30329649
Molecular FormulaC20H13IN4O2
Molecular Weight468.25 g/mol
Exact Mass468.01
IUPAC Name2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1ccccc1I
InChIInChI=1S/C20H13IN4O2/c21-16-7-3-1-5-14(16)19(26)23-17-8-4-2-6-15(17)20-24-18(25-27-20)13-9-11-22-12-10-13/h1-12H,(H,23,26)
InChIKeyGOSGQSORSXVPIS-UHFFFAOYSA-N
XLogP4.66
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329655
N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30331950
2-iodo-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 43903830
2-methyl-3-nitro-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330128
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332097
2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331603
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 16763198
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 2797889
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332113
6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30334607
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4897487

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 30329649) is 2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is GOSGQSORSXVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13IN4O2/c21-16-7-3-1-5-14(16)19(26)23-17-8-4-2-6-15(17)20-24-18(25-27-20)13-9-11-22-12-10-13/h1-12H,(H,23,26).
What are the key properties of 2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 468.25 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 30329649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).