[5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

C24H25N5O2 — CID 164619662

IUPAC[5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(CN2CCN(C(=O)c3nnc(-c4cccc5c4ccn5C)o3)CC2)cc1
InChIInChI=1S/C24H25N5O2/c1-17-6-8-18(9-7-17)16-28-12-14-29(15-13-28)24(30)23-26-25-22(31-23)20-4-3-5-21-19(20)10-11-27(21)2/h3-11H,12-16H2,1-2H3
InChIKeyCVLMNKCALXCMJE-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.49
Rot. Bonds4

About [5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

[5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 164619662) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID164619662
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(CN2CCN(C(=O)c3nnc(-c4cccc5c4ccn5C)o3)CC2)cc1
InChIInChI=1S/C24H25N5O2/c1-17-6-8-18(9-7-17)16-28-12-14-29(15-13-28)24(30)23-26-25-22(31-23)20-4-3-5-21-19(20)10-11-27(21)2/h3-11H,12-16H2,1-2H3
InChIKeyCVLMNKCALXCMJE-UHFFFAOYSA-N
XLogP3.49
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone (CID 164619662) is [5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1ccc(CN2CCN(C(=O)c3nnc(-c4cccc5c4ccn5C)o3)CC2)cc1.
What is the InChIKey of [5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is CVLMNKCALXCMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-6-8-18(9-7-17)16-28-12-14-29(15-13-28)24(30)23-26-25-22(31-23)20-4-3-5-21-19(20)10-11-27(21)2/h3-11H,12-16H2,1-2H3.
What are the key properties of [5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone?
[5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 415.50 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylindol-4-yl)-1,3,4-oxadiazol-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 164619662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).