2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole

C13H16N2O2 — CID 84695591

IUPAC2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole
SMILESCc1nc2cc(OC3CCCNC3)ccc2o1
InChIInChI=1S/C13H16N2O2/c1-9-15-12-7-10(4-5-13(12)16-9)17-11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3
InChIKeyFLLZEYRJCHQARJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.27
Rot. Bonds2

About 2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole

2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole (PubChem CID 84695591) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole
PubChem CID84695591
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole
SMILESCc1nc2cc(OC3CCCNC3)ccc2o1
InChIInChI=1S/C13H16N2O2/c1-9-15-12-7-10(4-5-13(12)16-9)17-11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3
InChIKeyFLLZEYRJCHQARJ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole
CID 84672190
7-piperidin-3-yloxychromen-2-one
CID 46735671
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
CID 115209662
2-methyl-5-piperidin-3-yloxypyridine
CID 18712955
5-piperidin-4-yloxy-2-propan-2-yl-1,3-benzoxazole
CID 117098143
3-(3,4,5-trimethylphenoxy)piperidine
CID 91468136
5-nitro-2-piperidin-3-yloxy-1,3-benzoxazole;hydrochloride
CID 71635920
5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole
CID 117098151
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
2-methyl-6-[(3R)-piperidin-3-yl]oxypyridine
CID 94407048
3-(3,5-dimethylphenoxy)azepane
CID 82019169

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole (CID 84695591) is 2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole is Cc1nc2cc(OC3CCCNC3)ccc2o1.
What is the InChIKey of 2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole?
The InChIKey is FLLZEYRJCHQARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-15-12-7-10(4-5-13(12)16-9)17-11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3.
What are the key properties of 2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole?
2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole has a molecular weight of 232.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole is sourced from PubChem (CID 84695591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).