[2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium

C26H25N4O+ — CID 142606113

IUPAC[2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium
SMILESC[NH2+]C(Cc1c[nH]c2ccccc12)c1nc(Cc2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C26H24N4O/c1-27-24(16-21-17-28-23-10-6-5-9-22(21)23)26-29-25(30-31-26)15-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-14,17,24,27-28H,15-16H2,1H3/p+1
InChIKeyOKJCWIPHGIGDFD-UHFFFAOYSA-O
MW409.51 g/mol
LogP4.29
Rot. Bonds7

About [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium

[2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium (PubChem CID 142606113) has the molecular formula C26H25N4O+ and a molecular weight of 409.51 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium
PubChem CID142606113
Molecular FormulaC26H25N4O+
Molecular Weight409.51 g/mol
Exact Mass409.20
IUPAC Name[2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium
SMILESC[NH2+]C(Cc1c[nH]c2ccccc12)c1nc(Cc2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C26H24N4O/c1-27-24(16-21-17-28-23-10-6-5-9-22(21)23)26-29-25(30-31-26)15-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-14,17,24,27-28H,15-16H2,1H3/p+1
InChIKeyOKJCWIPHGIGDFD-UHFFFAOYSA-O
XLogP4.29
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium with MolForge

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Related Compounds

[(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]azanium
CID 168720620
[5-(2-aminoimidazol-1-yl)-1-[[3-(4-hydroxy-2,6-dimethylphenyl)-1-[[(1S)-2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid
CID 138688983
2-amino-5-(2-aminoimidazol-1-yl)-N-[3-(4-hydroxy-2,6-dimethylphenyl)-1-[[2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-1-oxopropan-2-yl]pentanamide
CID 170304902
[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 68787766
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
3-(2-fluoropropyl)-1H-indole
CID 142409179
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790745
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42582058
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41091001
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium?
The IUPAC name of [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium (CID 142606113) is [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium.
What is the SMILES notation for [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium?
The canonical SMILES for [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium is C[NH2+]C(Cc1c[nH]c2ccccc12)c1nc(Cc2ccc(-c3ccccc3)cc2)no1.
What is the InChIKey of [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium?
The InChIKey is OKJCWIPHGIGDFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H24N4O/c1-27-24(16-21-17-28-23-10-6-5-9-22(21)23)26-29-25(30-31-26)15-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-14,17,24,27-28H,15-16H2,1H3/p+1.
What are the key properties of [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium?
[2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium has a molecular weight of 409.51 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-methylazanium is sourced from PubChem (CID 142606113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).