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

C12H17N5O2 — CID 120960763

IUPAC5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(C)c(-c2nc(C3CNCCN3C)no2)o1
InChIInChI=1S/C12H17N5O2/c1-7-10(18-8(2)14-7)12-15-11(16-19-12)9-6-13-4-5-17(9)3/h9,13H,4-6H2,1-3H3
InChIKeyWICFCDIXJKIGKW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.92
Rot. Bonds2

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

5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120960763) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120960763
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(C)c(-c2nc(C3CNCCN3C)no2)o1
InChIInChI=1S/C12H17N5O2/c1-7-10(18-8(2)14-7)12-15-11(16-19-12)9-6-13-4-5-17(9)3/h9,13H,4-6H2,1-3H3
InChIKeyWICFCDIXJKIGKW-UHFFFAOYSA-N
XLogP0.92
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958423
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
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
3-(1-methylpiperazin-2-yl)-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 120960436
3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 120957284
5-(3-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960185
3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960478
5-(1,3-dimethyl-4-nitropyrazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961654

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120960763) is 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1nc(C)c(-c2nc(C3CNCCN3C)no2)o1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is WICFCDIXJKIGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7-10(18-8(2)14-7)12-15-11(16-19-12)9-6-13-4-5-17(9)3/h9,13H,4-6H2,1-3H3.
What are the key properties of 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 263.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120960763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).