5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C14H21N5O2 — CID 120960773

IUPAC5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCCC(C)c1cc(-c2nc(C3CNCCN3C)no2)on1
InChIInChI=1S/C14H21N5O2/c1-4-9(2)10-7-12(20-17-10)14-16-13(18-21-14)11-8-15-5-6-19(11)3/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeySVMAMJKSGAKURB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.81
Rot. Bonds4

About 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120960773) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120960773
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCCC(C)c1cc(-c2nc(C3CNCCN3C)no2)on1
InChIInChI=1S/C14H21N5O2/c1-4-9(2)10-7-12(20-17-10)14-16-13(18-21-14)11-8-15-5-6-19(11)3/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeySVMAMJKSGAKURB-UHFFFAOYSA-N
XLogP1.81
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 120960436
5-(5-ethyl-4-methylthiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958930
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957485
3-(1-methylpiperazin-2-yl)-5-[3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole
CID 120956694
5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959246
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
5-(5-bromofuran-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960131
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(2-iodo-5-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958607

Frequently Asked Questions

What is the IUPAC name of 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120960773) is 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CCC(C)c1cc(-c2nc(C3CNCCN3C)no2)on1.
What is the InChIKey of 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is SVMAMJKSGAKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-9(2)10-7-12(20-17-10)14-16-13(18-21-14)11-8-15-5-6-19(11)3/h7,9,11,15H,4-6,8H2,1-3H3.
What are the key properties of 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 291.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120960773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).