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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
CID 63870416
5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
CID 64792495
1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine
CID 107676305
5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-amine
CID 65418361
2-[2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107676050
3-piperidin-4-yloxy-N-(2,4,6-trichlorophenyl)propanamide
CID 63875787
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine
CID 107676160
3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 104880792
5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
CID 55251116
N,N-dimethyl-2-[5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115345496
1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 114281145
5,7-dichloro-1,3-benzoxazol-2-amine
CID 46942325

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).