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

C13H16N2O2 — CID 102696403

IUPAC6-methoxy-2-piperidin-2-yl-1,3-benzoxazole
SMILESCOc1ccc2nc(C3CCCCN3)oc2c1
InChIInChI=1S/C13H16N2O2/c1-16-9-5-6-10-12(8-9)17-13(15-10)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3
InChIKeyUJGNTNRXWSSZMH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.65
Rot. Bonds2

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

6-methoxy-2-piperidin-2-yl-1,3-benzoxazole (PubChem CID 102696403) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-methoxy-2-piperidin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-methoxy-2-piperidin-2-yl-1,3-benzoxazole
PubChem CID102696403
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-methoxy-2-piperidin-2-yl-1,3-benzoxazole
SMILESCOc1ccc2nc(C3CCCCN3)oc2c1
InChIInChI=1S/C13H16N2O2/c1-16-9-5-6-10-12(8-9)17-13(15-10)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3
InChIKeyUJGNTNRXWSSZMH-UHFFFAOYSA-N
XLogP2.65
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230801
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926
5-methyl-2-piperidin-2-yl-1,3-benzoxazole
CID 60918725
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230711
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine
CID 117343126
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-piperidin-2-yl-1,3-benzoxazole?
The IUPAC name of 6-methoxy-2-piperidin-2-yl-1,3-benzoxazole (CID 102696403) is 6-methoxy-2-piperidin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-methoxy-2-piperidin-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-methoxy-2-piperidin-2-yl-1,3-benzoxazole is COc1ccc2nc(C3CCCCN3)oc2c1.
What is the InChIKey of 6-methoxy-2-piperidin-2-yl-1,3-benzoxazole?
The InChIKey is UJGNTNRXWSSZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-9-5-6-10-12(8-9)17-13(15-10)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3.
What are the key properties of 6-methoxy-2-piperidin-2-yl-1,3-benzoxazole?
6-methoxy-2-piperidin-2-yl-1,3-benzoxazole has a molecular weight of 232.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-piperidin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 102696403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).