N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide

C12H8IN3O3 — CID 142739372

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)C1=CI=CC=C1
InChIInChI=1S/C12H8IN3O3/c17-10(8-3-1-5-13-7-8)14-12-16-15-11(19-12)9-4-2-6-18-9/h1-7H,(H,14,16,17)
InChIKeySUIAGQZADSNMAG-UHFFFAOYSA-N
MW369.12 g/mol
LogP2.49
Rot. Bonds3

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide (PubChem CID 142739372) has the molecular formula C12H8IN3O3 and a molecular weight of 369.12 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide
PubChem CID142739372
Molecular FormulaC12H8IN3O3
Molecular Weight369.12 g/mol
Exact Mass368.96
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)C1=CI=CC=C1
InChIInChI=1S/C12H8IN3O3/c17-10(8-3-1-5-13-7-8)14-12-16-15-11(19-12)9-4-2-6-18-9/h1-7H,(H,14,16,17)
InChIKeySUIAGQZADSNMAG-UHFFFAOYSA-N
XLogP2.49
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 52.49
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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylfuran-2-carboxamide
CID 90320525
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4129515
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362560
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 4151972
5-(4-aminophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 53327040
3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941202
4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7295297
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914
4-(dimethylsulfamoyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5083850
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3430781
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 45497116

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide (CID 142739372) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)C1=CI=CC=C1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide?
The InChIKey is SUIAGQZADSNMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8IN3O3/c17-10(8-3-1-5-13-7-8)14-12-16-15-11(19-12)9-4-2-6-18-9/h1-7H,(H,14,16,17).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide has a molecular weight of 369.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1λ3-iodacyclohexa-2,4,6-triene-3-carboxamide is sourced from PubChem (CID 142739372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).