5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole

C26H25N5O2 — CID 118721831

IUPAC5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole
SMILESCN1CCN(c2ccc(-c3ccc(-c4noc(Cc5c[nH]c6ccccc56)n4)o3)cc2)CC1
InChIInChI=1S/C26H25N5O2/c1-30-12-14-31(15-13-30)20-8-6-18(7-9-20)23-10-11-24(32-23)26-28-25(33-29-26)16-19-17-27-22-5-3-2-4-21(19)22/h2-11,17,27H,12-16H2,1H3
InChIKeyRBQXPPJETIWITN-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.82
Rot. Bonds5

About 5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole

5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole (PubChem CID 118721831) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole
PubChem CID118721831
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole
SMILESCN1CCN(c2ccc(-c3ccc(-c4noc(Cc5c[nH]c6ccccc56)n4)o3)cc2)CC1
InChIInChI=1S/C26H25N5O2/c1-30-12-14-31(15-13-30)20-8-6-18(7-9-20)23-10-11-24(32-23)26-28-25(33-29-26)16-19-17-27-22-5-3-2-4-21(19)22/h2-11,17,27H,12-16H2,1H3
InChIKeyRBQXPPJETIWITN-UHFFFAOYSA-N
XLogP4.82
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 118722142
3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one
CID 100690024
5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 127028684
5-(1H-indol-3-ylmethyl)-3-[3-(3-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 127027705
5-(1H-indol-3-ylmethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 13104106
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 45268094
3-[3-(4-ethoxyphenyl)phenyl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 127028022
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 75614854
1-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110555707
4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769553
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide
CID 122357083
N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46855458

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole (CID 118721831) is 5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole is CN1CCN(c2ccc(-c3ccc(-c4noc(Cc5c[nH]c6ccccc56)n4)o3)cc2)CC1.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole?
The InChIKey is RBQXPPJETIWITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-30-12-14-31(15-13-30)20-8-6-18(7-9-20)23-10-11-24(32-23)26-28-25(33-29-26)16-19-17-27-22-5-3-2-4-21(19)22/h2-11,17,27H,12-16H2,1H3.
What are the key properties of 5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole?
5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole has a molecular weight of 439.52 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 118721831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).