2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole

C20H23N5O — CID 9396200

IUPAC2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc([C@H](C)N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C20H23N5O/c1-15-6-8-17(9-7-15)20-23-22-19(26-20)16(2)24-11-13-25(14-12-24)18-5-3-4-10-21-18/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyLKYBTHTZWZJSJQ-INIZCTEOSA-N
MW349.44 g/mol
LogP3.32
Rot. Bonds4

About 2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole

2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 9396200) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
PubChem CID9396200
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc([C@H](C)N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C20H23N5O/c1-15-6-8-17(9-7-15)20-23-22-19(26-20)16(2)24-11-13-25(14-12-24)18-5-3-4-10-21-18/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyLKYBTHTZWZJSJQ-INIZCTEOSA-N
XLogP3.32
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 8620018
N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
CID 95774401
2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 17408693
2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92893066
1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone
CID 25346954
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40939270
2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 95296429
2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
CID 47544378
2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 25346846
2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
CID 84756581
2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 31873148

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole (CID 9396200) is 2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc([C@H](C)N3CCN(c4ccccn4)CC3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is LKYBTHTZWZJSJQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-6-8-17(9-7-15)20-23-22-19(26-20)16(2)24-11-13-25(14-12-24)18-5-3-4-10-21-18/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 349.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 9396200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).