6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole

C14H17ClN2O — CID 81433134

IUPAC6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole
SMILESCCC1(c2nc3ccc(Cl)cc3o2)CCCNC1
InChIInChI=1S/C14H17ClN2O/c1-2-14(6-3-7-16-9-14)13-17-11-5-4-10(15)8-12(11)18-13/h4-5,8,16H,2-3,6-7,9H2,1H3
InChIKeyXUBRYJBHPAULAU-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.51
Rot. Bonds2

About 6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole

6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole (PubChem CID 81433134) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole
PubChem CID81433134
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole
SMILESCCC1(c2nc3ccc(Cl)cc3o2)CCCNC1
InChIInChI=1S/C14H17ClN2O/c1-2-14(6-3-7-16-9-14)13-17-11-5-4-10(15)8-12(11)18-13/h4-5,8,16H,2-3,6-7,9H2,1H3
InChIKeyXUBRYJBHPAULAU-UHFFFAOYSA-N
XLogP3.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-(3-ethylpiperidin-3-yl)-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

[1-(6-chloro-1,3-benzoxazol-2-yl)cyclobutyl]methanamine
CID 115446195
6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
CID 102696219
1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 81433944
[1-(6-chloro-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
CID 115442861
3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 115565652
6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 113316532
7-methyl-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
CID 79601667
[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 115436597
2-(3-propylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 113392364
7-bromo-2-(3-ethylpyrrolidin-3-yl)-1,3-benzoxazole
CID 81495177
5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788843
6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 113316558

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole (CID 81433134) is 6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole is CCC1(c2nc3ccc(Cl)cc3o2)CCCNC1.
What is the InChIKey of 6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole?
The InChIKey is XUBRYJBHPAULAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-14(6-3-7-16-9-14)13-17-11-5-4-10(15)8-12(11)18-13/h4-5,8,16H,2-3,6-7,9H2,1H3.
What are the key properties of 6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole?
6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole has a molecular weight of 264.76 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-ethylpiperidin-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 81433134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).