6-methyl-3-piperazin-1-yl-2,1-benzoxazole

C12H15N3O — CID 84682811

IUPAC6-methyl-3-piperazin-1-yl-2,1-benzoxazole
SMILESCc1ccc2c(N3CCNCC3)onc2c1
InChIInChI=1S/C12H15N3O/c1-9-2-3-10-11(8-9)14-16-12(10)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChIKeyPYINAAWIWKGDIK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.55
Rot. Bonds1

About 6-methyl-3-piperazin-1-yl-2,1-benzoxazole

6-methyl-3-piperazin-1-yl-2,1-benzoxazole (PubChem CID 84682811) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-methyl-3-piperazin-1-yl-2,1-benzoxazole.

Molecular Properties

Compound Name6-methyl-3-piperazin-1-yl-2,1-benzoxazole
PubChem CID84682811
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-methyl-3-piperazin-1-yl-2,1-benzoxazole
SMILESCc1ccc2c(N3CCNCC3)onc2c1
InChIInChI=1S/C12H15N3O/c1-9-2-3-10-11(8-9)14-16-12(10)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChIKeyPYINAAWIWKGDIK-UHFFFAOYSA-N
XLogP1.55
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-piperazin-1-yl-2,1-benzoxazole
CID 84696731
3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236366
3-bromo-6-methyl-4-piperazin-1-ylquinoline
CID 121236335
4-methyl-5-piperazin-1-yl-1,2-oxazole
CID 84765247
2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 82483538
3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline
CID 121236184
2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline
CID 58475579
5-methyl-2-piperazin-1-ylaniline
CID 62137468
(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine
CID 59320513
2,2,6-trimethyl-3-piperazin-1-yl-1,4-benzoxazine
CID 82363813
2-methoxy-6-methyl-4-piperazin-1-ylquinoline
CID 67319434
3-bromo-6-methyl-2-piperazin-1-ylquinoline
CID 166485336

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-piperazin-1-yl-2,1-benzoxazole?
The IUPAC name of 6-methyl-3-piperazin-1-yl-2,1-benzoxazole (CID 84682811) is 6-methyl-3-piperazin-1-yl-2,1-benzoxazole.
What is the SMILES notation for 6-methyl-3-piperazin-1-yl-2,1-benzoxazole?
The canonical SMILES for 6-methyl-3-piperazin-1-yl-2,1-benzoxazole is Cc1ccc2c(N3CCNCC3)onc2c1.
What is the InChIKey of 6-methyl-3-piperazin-1-yl-2,1-benzoxazole?
The InChIKey is PYINAAWIWKGDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-2-3-10-11(8-9)14-16-12(10)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 6-methyl-3-piperazin-1-yl-2,1-benzoxazole?
6-methyl-3-piperazin-1-yl-2,1-benzoxazole has a molecular weight of 217.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-piperazin-1-yl-2,1-benzoxazole is sourced from PubChem (CID 84682811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).