2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole

C15H20N2O2 — CID 117098302

IUPAC2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole
SMILESCCc1nc2ccc(OCC3CCCNC3)cc2o1
InChIInChI=1S/C15H20N2O2/c1-2-15-17-13-6-5-12(8-14(13)19-15)18-10-11-4-3-7-16-9-11/h5-6,8,11,16H,2-4,7,9-10H2,1H3
InChIKeyRATFAWBRDAWFLG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.77
Rot. Bonds4

About 2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole

2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole (PubChem CID 117098302) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole
PubChem CID117098302
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole
SMILESCCc1nc2ccc(OCC3CCCNC3)cc2o1
InChIInChI=1S/C15H20N2O2/c1-2-15-17-13-6-5-12(8-14(13)19-15)18-10-11-4-3-7-16-9-11/h5-6,8,11,16H,2-4,7,9-10H2,1H3
InChIKeyRATFAWBRDAWFLG-UHFFFAOYSA-N
XLogP2.77
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole
CID 117098151
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 55232173
(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
CID 42427116
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
CID 94407294
6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 155136389
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
5-(piperidin-3-ylmethoxy)-1H-indazole
CID 117051742
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole?
The IUPAC name of 2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole (CID 117098302) is 2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole is CCc1nc2ccc(OCC3CCCNC3)cc2o1.
What is the InChIKey of 2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole?
The InChIKey is RATFAWBRDAWFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-15-17-13-6-5-12(8-14(13)19-15)18-10-11-4-3-7-16-9-11/h5-6,8,11,16H,2-4,7,9-10H2,1H3.
What are the key properties of 2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole?
2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole has a molecular weight of 260.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole is sourced from PubChem (CID 117098302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).