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

C17H19N5O2 — CID 120958423

IUPAC5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2ccccc2)oc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C17H19N5O2/c1-11-14(23-16(19-11)12-6-4-3-5-7-12)17-20-15(21-24-17)13-10-18-8-9-22(13)2/h3-7,13,18H,8-10H2,1-2H3
InChIKeyZTENHYTVEDKKRF-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.28
Rot. Bonds3

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

5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120958423) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120958423
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2ccccc2)oc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C17H19N5O2/c1-11-14(23-16(19-11)12-6-4-3-5-7-12)17-20-15(21-24-17)13-10-18-8-9-22(13)2/h3-7,13,18H,8-10H2,1-2H3
InChIKeyZTENHYTVEDKKRF-UHFFFAOYSA-N
XLogP2.28
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120958423) is 5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1nc(-c2ccccc2)oc1-c1nc(C2CNCCN2C)no1.
What is the InChIKey of 5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is ZTENHYTVEDKKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-14(23-16(19-11)12-6-4-3-5-7-12)17-20-15(21-24-17)13-10-18-8-9-22(13)2/h3-7,13,18H,8-10H2,1-2H3.
What are the key properties of 5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 325.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).