2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole

C15H20N2O2 — CID 86984025

IUPAC2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
SMILESCOCCN1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C15H20N2O2/c1-18-10-9-17-8-4-5-12(11-17)15-16-13-6-2-3-7-14(13)19-15/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyRYRUDBHHTOCZPS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole

2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole (PubChem CID 86984025) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
PubChem CID86984025
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
SMILESCOCCN1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C15H20N2O2/c1-18-10-9-17-8-4-5-12(11-17)15-16-13-6-2-3-7-14(13)19-15/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyRYRUDBHHTOCZPS-UHFFFAOYSA-N
XLogP2.65
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole
CID 95585766
2-[1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126767222
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378
2-[1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126786710
2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126811031
2-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136895970
2-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 47060523
2-[(3S)-1-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 28850812
2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 37076696
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 31986183
2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 25373315

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole (CID 86984025) is 2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole is COCCN1CCCC(c2nc3ccccc3o2)C1.
What is the InChIKey of 2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole?
The InChIKey is RYRUDBHHTOCZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-10-9-17-8-4-5-12(11-17)15-16-13-6-2-3-7-14(13)19-15/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of 2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole?
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole has a molecular weight of 260.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 86984025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).