N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine

C21H16IN3O2 — CID 10073364

IUPACN-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
SMILESIc1ccc(Nc2nnc(COc3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C21H16IN3O2/c22-17-8-10-18(11-9-17)23-21-25-24-20(27-21)14-26-19-12-6-16(7-13-19)15-4-2-1-3-5-15/h1-13H,14H2,(H,23,25)
InChIKeyRGYSQKJMBNWWRF-UHFFFAOYSA-N
MW469.28 g/mol
LogP5.66
Rot. Bonds6

About N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine

N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 10073364) has the molecular formula C21H16IN3O2 and a molecular weight of 469.28 g/mol. Its IUPAC name is N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID10073364
Molecular FormulaC21H16IN3O2
Molecular Weight469.28 g/mol
Exact Mass469.03
IUPAC NameN-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
SMILESIc1ccc(Nc2nnc(COc3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C21H16IN3O2/c22-17-8-10-18(11-9-17)23-21-25-24-20(27-21)14-26-19-12-6-16(7-13-19)15-4-2-1-3-5-15/h1-13H,14H2,(H,23,25)
InChIKeyRGYSQKJMBNWWRF-UHFFFAOYSA-N
XLogP5.66
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.28
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine 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

5-[[4-[2-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 42624964
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
CID 10026869
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
N-(4-ethoxyphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966280
4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide
CID 50844230
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 50844264
2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole
CID 75483681
N-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]aniline
CID 61027840
5-(1-chloroethyl)-N-(4-phenylphenyl)-1,3,4-oxadiazol-2-amine
CID 106957474
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine (CID 10073364) is N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine is Ic1ccc(Nc2nnc(COc3ccc(-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RGYSQKJMBNWWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16IN3O2/c22-17-8-10-18(11-9-17)23-21-25-24-20(27-21)14-26-19-12-6-16(7-13-19)15-4-2-1-3-5-15/h1-13H,14H2,(H,23,25).
What are the key properties of N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine?
N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 469.28 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 10073364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).