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

C18H19N3O2 — CID 10470580

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
SMILESCOc1ccccc1N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H19N3O2/c1-22-17-9-5-3-7-15(17)20-10-12-21(13-11-20)18-19-14-6-2-4-8-16(14)23-18/h2-9H,10-13H2,1H3
InChIKeySDQSWBVZTABORA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.16
Rot. Bonds3

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

2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 10470580) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID10470580
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
SMILESCOc1ccccc1N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H19N3O2/c1-22-17-9-5-3-7-15(17)20-10-12-21(13-11-20)18-19-14-6-2-4-8-16(14)23-18/h2-9H,10-13H2,1H3
InChIKeySDQSWBVZTABORA-UHFFFAOYSA-N
XLogP3.16
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole (CID 10470580) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole is COc1ccccc1N1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is SDQSWBVZTABORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-17-9-5-3-7-15(17)20-10-12-21(13-11-20)18-19-14-6-2-4-8-16(14)23-18/h2-9H,10-13H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 309.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 10470580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).