3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C21H22N4O2 — CID 51217103

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c26-20(25-15-13-24(14-16-25)18-9-5-2-6-10-18)12-11-19-22-23-21(27-19)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyTXMPCEPUDVEZNY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.02
Rot. Bonds5

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 51217103) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID51217103
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c26-20(25-15-13-24(14-16-25)18-9-5-2-6-10-18)12-11-19-22-23-21(27-19)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyTXMPCEPUDVEZNY-UHFFFAOYSA-N
XLogP3.02
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 51263196
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110333834
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 38711801
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 55876605
1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 95590153
1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 112829928
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 100762680
1-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 55891565
1-(azepan-1-yl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330551

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 51217103) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCc1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is TXMPCEPUDVEZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(25-15-13-24(14-16-25)18-9-5-2-6-10-18)12-11-19-22-23-21(27-19)17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 362.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 51217103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).