5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole

C23H18N4O — CID 127028684

IUPAC5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)n2)c1
InChIInChI=1S/C23H18N4O/c1-15-6-4-7-16(12-15)19-10-5-11-21(25-19)23-26-22(28-27-23)13-17-14-24-20-9-3-2-8-18(17)20/h2-12,14,24H,13H2,1H3
InChIKeyNIZGDQLLMPUUHP-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.18
Rot. Bonds4

About 5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole

5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 127028684) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID127028684
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)n2)c1
InChIInChI=1S/C23H18N4O/c1-15-6-4-7-16(12-15)19-10-5-11-21(25-19)23-26-22(28-27-23)13-17-14-24-20-9-3-2-8-18(17)20/h2-12,14,24H,13H2,1H3
InChIKeyNIZGDQLLMPUUHP-UHFFFAOYSA-N
XLogP5.18
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-indol-3-ylmethyl)-3-[3-(3-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 127027705
3-[3-(4-ethoxyphenyl)phenyl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 127028022
5-(1H-indol-3-ylmethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 13104106
3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 118722142
5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53032056
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 45268094
5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole
CID 118721831
3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one
CID 100690024
2-(3-methylphenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153559
4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 11550369
3-[(4-methyl-2-pyridinyl)methyl]-1H-indole
CID 23967759
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111612479

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole (CID 127028684) is 5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole is Cc1cccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)n2)c1.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is NIZGDQLLMPUUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-15-6-4-7-16(12-15)19-10-5-11-21(25-19)23-26-22(28-27-23)13-17-14-24-20-9-3-2-8-18(17)20/h2-12,14,24H,13H2,1H3.
What are the key properties of 5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole?
5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 366.42 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 127028684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).