2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole

C20H22ClN3O — CID 90644065

IUPAC2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole
SMILESClc1ccc(N2CCN(CCCc3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C20H22ClN3O/c21-16-7-9-17(10-8-16)24-14-12-23(13-15-24)11-3-6-20-22-18-4-1-2-5-19(18)25-20/h1-2,4-5,7-10H,3,6,11-15H2
InChIKeyZLUCWPDQINEIOK-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.24
Rot. Bonds5

About 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole

2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole (PubChem CID 90644065) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole
PubChem CID90644065
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole
SMILESClc1ccc(N2CCN(CCCc3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C20H22ClN3O/c21-16-7-9-17(10-8-16)24-14-12-23(13-15-24)11-3-6-20-22-18-4-1-2-5-19(18)25-20/h1-2,4-5,7-10H,3,6,11-15H2
InChIKeyZLUCWPDQINEIOK-UHFFFAOYSA-N
XLogP4.24
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole (CID 90644065) is 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole is Clc1ccc(N2CCN(CCCc3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole?
The InChIKey is ZLUCWPDQINEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-16-7-9-17(10-8-16)24-14-12-23(13-15-24)11-3-6-20-22-18-4-1-2-5-19(18)25-20/h1-2,4-5,7-10H,3,6,11-15H2.
What are the key properties of 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole?
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole has a molecular weight of 355.87 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole is sourced from PubChem (CID 90644065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).