2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole

C14H18N2O2 — CID 117368074

IUPAC2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole
SMILESCOc1nc2c(CC3CCCCN3)cccc2o1
InChIInChI=1S/C14H18N2O2/c1-17-14-16-13-10(5-4-7-12(13)18-14)9-11-6-2-3-8-15-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3
InChIKeyKHCQJVGNFHUAPB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.52
Rot. Bonds3

About 2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole

2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole (PubChem CID 117368074) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole
PubChem CID117368074
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole
SMILESCOc1nc2c(CC3CCCCN3)cccc2o1
InChIInChI=1S/C14H18N2O2/c1-17-14-16-13-10(5-4-7-12(13)18-14)9-11-6-2-3-8-15-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3
InChIKeyKHCQJVGNFHUAPB-UHFFFAOYSA-N
XLogP2.52
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
(2R)-2-(1-benzofuran-2-ylmethyl)piperidine
CID 94859293
4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84637903
2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117455719
2-[(3-methoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117455721
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole
CID 117474538
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine
CID 23146342
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
5-methoxy-2-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117132123
2-[(2-pentan-3-ylphenyl)methyl]piperidine
CID 117366332

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole (CID 117368074) is 2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole is COc1nc2c(CC3CCCCN3)cccc2o1.
What is the InChIKey of 2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The InChIKey is KHCQJVGNFHUAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-14-16-13-10(5-4-7-12(13)18-14)9-11-6-2-3-8-15-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3.
What are the key properties of 2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole?
2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole has a molecular weight of 246.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 117368074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).