2-(4-propylpiperazin-1-yl)-1,3-benzoxazole

C14H19N3O — CID 11395660

IUPAC2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
SMILESCCCN1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C14H19N3O/c1-2-7-16-8-10-17(11-9-16)14-15-12-5-3-4-6-13(12)18-14/h3-6H,2,7-11H2,1H3
InChIKeyMSTBJYDWFZWOQH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.36
Rot. Bonds3

About 2-(4-propylpiperazin-1-yl)-1,3-benzoxazole

2-(4-propylpiperazin-1-yl)-1,3-benzoxazole (PubChem CID 11395660) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(4-propylpiperazin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
PubChem CID11395660
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
SMILESCCCN1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C14H19N3O/c1-2-7-16-8-10-17(11-9-16)14-15-12-5-3-4-6-13(12)18-14/h3-6H,2,7-11H2,1H3
InChIKeyMSTBJYDWFZWOQH-UHFFFAOYSA-N
XLogP2.36
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperazin-1-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-propylpiperazin-1-yl)-1,3-benzoxazole (CID 11395660) is 2-(4-propylpiperazin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-propylpiperazin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-propylpiperazin-1-yl)-1,3-benzoxazole is CCCN1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-(4-propylpiperazin-1-yl)-1,3-benzoxazole?
The InChIKey is MSTBJYDWFZWOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-7-16-8-10-17(11-9-16)14-15-12-5-3-4-6-13(12)18-14/h3-6H,2,7-11H2,1H3.
What are the key properties of 2-(4-propylpiperazin-1-yl)-1,3-benzoxazole?
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole has a molecular weight of 245.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperazin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 11395660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).