5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole

C26H23N3O — CID 175525693

IUPAC5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
SMILESCn1cc(CCc2nc(Cc3ccc(-c4ccccc4)cc3)no2)c2ccccc21
InChIInChI=1S/C26H23N3O/c1-29-18-22(23-9-5-6-10-24(23)29)15-16-26-27-25(28-30-26)17-19-11-13-21(14-12-19)20-7-3-2-4-8-20/h2-14,18H,15-17H2,1H3
InChIKeyBKIHSGZRQVVLRZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.60
Rot. Bonds6

About 5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole

5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 175525693) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
PubChem CID175525693
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
SMILESCn1cc(CCc2nc(Cc3ccc(-c4ccccc4)cc3)no2)c2ccccc21
InChIInChI=1S/C26H23N3O/c1-29-18-22(23-9-5-6-10-24(23)29)15-16-26-27-25(28-30-26)17-19-11-13-21(14-12-19)20-7-3-2-4-8-20/h2-14,18H,15-17H2,1H3
InChIKeyBKIHSGZRQVVLRZ-UHFFFAOYSA-N
XLogP5.60
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-methylindol-3-yl)ethyl]-1,4,2-dioxazol-5-one
CID 138740494
3-benzyl-1-methylquinolin-4-one
CID 10988673
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62330251
3-(2-bromoethyl)-1-methylindole
CID 13153306
3-[(2-chlorophenyl)methyl]-5-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 126787311
N-methyl-2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 55061768
3-benzyl-5-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38873947
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407767
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine
CID 60572803
3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 2259107

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole (CID 175525693) is 5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole is Cn1cc(CCc2nc(Cc3ccc(-c4ccccc4)cc3)no2)c2ccccc21.
What is the InChIKey of 5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is BKIHSGZRQVVLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-29-18-22(23-9-5-6-10-24(23)29)15-16-26-27-25(28-30-26)17-19-11-13-21(14-12-19)20-7-3-2-4-8-20/h2-14,18H,15-17H2,1H3.
What are the key properties of 5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole?
5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 393.49 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylindol-3-yl)ethyl]-3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 175525693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).