3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

C21H23N5O — CID 70731173

IUPAC3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(N3CCN(C/C=C/c4ccccc4)CC3)nc2)n1
InChIInChI=1S/C21H23N5O/c1-17-23-21(27-24-17)19-9-10-20(22-16-19)26-14-12-25(13-15-26)11-5-8-18-6-3-2-4-7-18/h2-10,16H,11-15H2,1H3/b8-5+
InChIKeySAPCLMALPFSXAC-VMPITWQZSA-N
MW361.45 g/mol
LogP3.28
Rot. Bonds5

About 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 70731173) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID70731173
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(N3CCN(C/C=C/c4ccccc4)CC3)nc2)n1
InChIInChI=1S/C21H23N5O/c1-17-23-21(27-24-17)19-9-10-20(22-16-19)26-14-12-25(13-15-26)11-5-8-18-6-3-2-4-7-18/h2-10,16H,11-15H2,1H3/b8-5+
InChIKeySAPCLMALPFSXAC-VMPITWQZSA-N
XLogP3.28
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 44768199
3-phenyl-5-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037147
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53037210
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938955
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
2-methyl-N-(3-methylbutyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112875456
1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 82225075

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 70731173) is 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2ccc(N3CCN(C/C=C/c4ccccc4)CC3)nc2)n1.
What is the InChIKey of 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is SAPCLMALPFSXAC-VMPITWQZSA-N. The full InChI is InChI=1S/C21H23N5O/c1-17-23-21(27-24-17)19-9-10-20(22-16-19)26-14-12-25(13-15-26)11-5-8-18-6-3-2-4-7-18/h2-10,16H,11-15H2,1H3/b8-5+.
What are the key properties of 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 361.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70731173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).