5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole

C16H18N4O2 — CID 121331437

IUPAC5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole
SMILESCc1cc(-c2ncco2)c2oc(N3CCNCC3C)nc2c1
InChIInChI=1S/C16H18N4O2/c1-10-7-12(15-18-4-6-21-15)14-13(8-10)19-16(22-14)20-5-3-17-9-11(20)2/h4,6-8,11,17H,3,5,9H2,1-2H3
InChIKeyXWGAIZZQHYDXNH-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.59
Rot. Bonds2

About 5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole

5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole (PubChem CID 121331437) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole
PubChem CID121331437
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole
SMILESCc1cc(-c2ncco2)c2oc(N3CCNCC3C)nc2c1
InChIInChI=1S/C16H18N4O2/c1-10-7-12(15-18-4-6-21-15)14-13(8-10)19-16(22-14)20-5-3-17-9-11(20)2/h4,6-8,11,17H,3,5,9H2,1-2H3
InChIKeyXWGAIZZQHYDXNH-UHFFFAOYSA-N
XLogP2.59
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole (CID 121331437) is 5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole is Cc1cc(-c2ncco2)c2oc(N3CCNCC3C)nc2c1.
What is the InChIKey of 5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole?
The InChIKey is XWGAIZZQHYDXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-7-12(15-18-4-6-21-15)14-13(8-10)19-16(22-14)20-5-3-17-9-11(20)2/h4,6-8,11,17H,3,5,9H2,1-2H3.
What are the key properties of 5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole?
5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole has a molecular weight of 298.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpiperazin-1-yl)-7-(1,3-oxazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 121331437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).