2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole

C14H19N3O2 — CID 82233075

IUPAC2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole
SMILESCOCCc1nc2cccc(N3CCNCC3)c2o1
InChIInChI=1S/C14H19N3O2/c1-18-10-5-13-16-11-3-2-4-12(14(11)19-13)17-8-6-15-7-9-17/h2-4,15H,5-10H2,1H3
InChIKeyHNSWEZPQNZNCBM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.43
Rot. Bonds4

About 2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole

2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole (PubChem CID 82233075) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole
PubChem CID82233075
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole
SMILESCOCCc1nc2cccc(N3CCNCC3)c2o1
InChIInChI=1S/C14H19N3O2/c1-18-10-5-13-16-11-3-2-4-12(14(11)19-13)17-8-6-15-7-9-17/h2-4,15H,5-10H2,1H3
InChIKeyHNSWEZPQNZNCBM-UHFFFAOYSA-N
XLogP1.43
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole (CID 82233075) is 2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole is COCCc1nc2cccc(N3CCNCC3)c2o1.
What is the InChIKey of 2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is HNSWEZPQNZNCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-10-5-13-16-11-3-2-4-12(14(11)19-13)17-8-6-15-7-9-17/h2-4,15H,5-10H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole?
2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 261.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-7-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 82233075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).