3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

C17H12FN3O — CID 56770437

IUPAC3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C17H12FN3O/c18-13-7-5-11(6-8-13)17-20-16(22-21-17)9-12-10-19-15-4-2-1-3-14(12)15/h1-8,10,19H,9H2
InChIKeyNFLZNXSSPXFHTK-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.95
Rot. Bonds3

About 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 56770437) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID56770437
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C17H12FN3O/c18-13-7-5-11(6-8-13)17-20-16(22-21-17)9-12-10-19-15-4-2-1-3-14(12)15/h1-8,10,19H,9H2
InChIKeyNFLZNXSSPXFHTK-UHFFFAOYSA-N
XLogP3.95
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole 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

2-(5-(3-(4-(Methylsulfonylamino)benzyl)-1,2,4-oxadiazol-5-yl)-1H-indole-3-yl)ethylamine
CID 132059
N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 9976750
4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 10383965
phidianidine A
CID 59053149
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 9927016
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 9974915
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
CID 9980618
2-[5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 9996008
N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 10063319
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088
N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 10068921
N-[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 10094731

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (CID 56770437) is 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is NFLZNXSSPXFHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-13-7-5-11(6-8-13)17-20-16(22-21-17)9-12-10-19-15-4-2-1-3-14(12)15/h1-8,10,19H,9H2.
What are the key properties of 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 293.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56770437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).