5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole

C14H16Cl2N2O2 — CID 107676158

IUPAC5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
SMILESClc1cc(Cl)c2oc(CCOC3CCNCC3)nc2c1
InChIInChI=1S/C14H16Cl2N2O2/c15-9-7-11(16)14-12(8-9)18-13(20-14)3-6-19-10-1-4-17-5-2-10/h7-8,10,17H,1-6H2
InChIKeyLBBIMOFFVZQKMP-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.45
Rot. Bonds4

About 5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole

5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole (PubChem CID 107676158) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
PubChem CID107676158
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
SMILESClc1cc(Cl)c2oc(CCOC3CCNCC3)nc2c1
InChIInChI=1S/C14H16Cl2N2O2/c15-9-7-11(16)14-12(8-9)18-13(20-14)3-6-19-10-1-4-17-5-2-10/h7-8,10,17H,1-6H2
InChIKeyLBBIMOFFVZQKMP-UHFFFAOYSA-N
XLogP3.45
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
The IUPAC name of 5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole (CID 107676158) is 5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole.
What is the SMILES notation for 5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
The canonical SMILES for 5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole is Clc1cc(Cl)c2oc(CCOC3CCNCC3)nc2c1.
What is the InChIKey of 5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
The InChIKey is LBBIMOFFVZQKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-9-7-11(16)14-12(8-9)18-13(20-14)3-6-19-10-1-4-17-5-2-10/h7-8,10,17H,1-6H2.
What are the key properties of 5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole has a molecular weight of 315.20 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole is sourced from PubChem (CID 107676158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).