6-chloro-2-piperidin-1-yl-1,3-benzoxazole

C12H13ClN2O — CID 15887773

IUPAC6-chloro-2-piperidin-1-yl-1,3-benzoxazole
SMILESClc1ccc2nc(N3CCCCC3)oc2c1
InChIInChI=1S/C12H13ClN2O/c13-9-4-5-10-11(8-9)16-12(14-10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeyDTGKETDQDAMNTE-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.47
Rot. Bonds1

About 6-chloro-2-piperidin-1-yl-1,3-benzoxazole

6-chloro-2-piperidin-1-yl-1,3-benzoxazole (PubChem CID 15887773) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 6-chloro-2-piperidin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-piperidin-1-yl-1,3-benzoxazole
PubChem CID15887773
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name6-chloro-2-piperidin-1-yl-1,3-benzoxazole
SMILESClc1ccc2nc(N3CCCCC3)oc2c1
InChIInChI=1S/C12H13ClN2O/c13-9-4-5-10-11(8-9)16-12(14-10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeyDTGKETDQDAMNTE-UHFFFAOYSA-N
XLogP3.47
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Zoxazolamine
CID 6103
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-(2-chlorophenyl)-1,3-benzoxazol-2-amine
CID 714839
Benzoxazole, 2-amino-6-chloro-
CID 40237
N-methyl-1,3-benzoxazol-2-amine
CID 590605
4-Benzoxazo-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 9794818
(2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-3-cyclohexyl-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11224927
2-[4-(2,2-Dimethylpropanoyl)piperazin-1-yl]-1,3-benzoxazole
CID 1504182
6-Chlorobenzoxazole
CID 9350362
2-(Morpholin-4-yl)-1,3-benzoxazole
CID 589769

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperidin-1-yl-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-piperidin-1-yl-1,3-benzoxazole (CID 15887773) is 6-chloro-2-piperidin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-piperidin-1-yl-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-piperidin-1-yl-1,3-benzoxazole is Clc1ccc2nc(N3CCCCC3)oc2c1.
What is the InChIKey of 6-chloro-2-piperidin-1-yl-1,3-benzoxazole?
The InChIKey is DTGKETDQDAMNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-9-4-5-10-11(8-9)16-12(14-10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2.
What are the key properties of 6-chloro-2-piperidin-1-yl-1,3-benzoxazole?
6-chloro-2-piperidin-1-yl-1,3-benzoxazole has a molecular weight of 236.70 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperidin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 15887773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).