5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

C12H17N5O2 — CID 55202377

IUPAC5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCc1oncc1-c1nc(C(C)N2CCNCC2)no1
InChIInChI=1S/C12H17N5O2/c1-8(17-5-3-13-4-6-17)11-15-12(19-16-11)10-7-14-18-9(10)2/h7-8,13H,3-6H2,1-2H3
InChIKeyYEJFAFKELCPEIQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.00
Rot. Bonds3

About 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 55202377) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID55202377
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCc1oncc1-c1nc(C(C)N2CCNCC2)no1
InChIInChI=1S/C12H17N5O2/c1-8(17-5-3-13-4-6-17)11-15-12(19-16-11)10-7-14-18-9(10)2/h7-8,13H,3-6H2,1-2H3
InChIKeyYEJFAFKELCPEIQ-UHFFFAOYSA-N
XLogP1.00
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343323
5-(2-methoxy-3-pyridinyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343186
3-(1-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 102660898
3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 63343278
5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63796485
5-[3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710780
5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 81124292
5-[(2-methylphenyl)methyl]-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343354
3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole
CID 63834040
5-(2-phenylethyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343102
5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 102802215
N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635396

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 55202377) is 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is Cc1oncc1-c1nc(C(C)N2CCNCC2)no1.
What is the InChIKey of 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is YEJFAFKELCPEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(17-5-3-13-4-6-17)11-15-12(19-16-11)10-7-14-18-9(10)2/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 263.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 55202377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).