2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole

C14H19N3O — CID 63873491

IUPAC2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole
SMILESCC1CN(Cc2nc3ccccc3o2)CC(C)N1
InChIInChI=1S/C14H19N3O/c1-10-7-17(8-11(2)15-10)9-14-16-12-5-3-4-6-13(12)18-14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyJVVITRJHQQCVRV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.01
Rot. Bonds2

About 2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole

2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole (PubChem CID 63873491) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole
PubChem CID63873491
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole
SMILESCC1CN(Cc2nc3ccccc3o2)CC(C)N1
InChIInChI=1S/C14H19N3O/c1-10-7-17(8-11(2)15-10)9-14-16-12-5-3-4-6-13(12)18-14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyJVVITRJHQQCVRV-UHFFFAOYSA-N
XLogP2.01
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole (CID 63873491) is 2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole is CC1CN(Cc2nc3ccccc3o2)CC(C)N1.
What is the InChIKey of 2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole?
The InChIKey is JVVITRJHQQCVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-7-17(8-11(2)15-10)9-14-16-12-5-3-4-6-13(12)18-14/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole?
2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole has a molecular weight of 245.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 63873491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).