4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide

C19H17FIN3O2 — CID 55684471

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide
SMILESCc1cc(I)ccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H17FIN3O2/c1-12-11-15(21)9-10-16(12)22-17(25)3-2-4-18-23-19(24-26-18)13-5-7-14(20)8-6-13/h5-11H,2-4H2,1H3,(H,22,25)
InChIKeyDFFZNCIKDPTQEX-UHFFFAOYSA-N
MW465.27 g/mol
LogP4.75
Rot. Bonds6

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide (PubChem CID 55684471) has the molecular formula C19H17FIN3O2 and a molecular weight of 465.27 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide
PubChem CID55684471
Molecular FormulaC19H17FIN3O2
Molecular Weight465.27 g/mol
Exact Mass465.03
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide
SMILESCc1cc(I)ccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H17FIN3O2/c1-12-11-15(21)9-10-16(12)22-17(25)3-2-4-18-23-19(24-26-18)13-5-7-14(20)8-6-13/h5-11H,2-4H2,1H3,(H,22,25)
InChIKeyDFFZNCIKDPTQEX-UHFFFAOYSA-N
XLogP4.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.27
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide 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

N-(5-acetamido-2-methylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454649
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258
N-(4-iodo-2-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134049053
N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2981927
N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55906165
N-(5-chloro-2-methylphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26692915
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 46453328
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 38931913
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 56568611
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)propanamide
CID 100759349

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide (CID 55684471) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide is Cc1cc(I)ccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide?
The InChIKey is DFFZNCIKDPTQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FIN3O2/c1-12-11-15(21)9-10-16(12)22-17(25)3-2-4-18-23-19(24-26-18)13-5-7-14(20)8-6-13/h5-11H,2-4H2,1H3,(H,22,25).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide has a molecular weight of 465.27 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide is sourced from PubChem (CID 55684471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).