5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole

C16H22N2O2 — CID 117098151

IUPAC5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2cc(OCC3CCCNC3)ccc2o1
InChIInChI=1S/C16H22N2O2/c1-11(2)16-18-14-8-13(5-6-15(14)20-16)19-10-12-4-3-7-17-9-12/h5-6,8,11-12,17H,3-4,7,9-10H2,1-2H3
InChIKeyFRQSCPCHLLNDDT-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.33
Rot. Bonds4

About 5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole

5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole (PubChem CID 117098151) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole
PubChem CID117098151
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2cc(OCC3CCCNC3)ccc2o1
InChIInChI=1S/C16H22N2O2/c1-11(2)16-18-14-8-13(5-6-15(14)20-16)19-10-12-4-3-7-17-9-12/h5-6,8,11-12,17H,3-4,7,9-10H2,1-2H3
InChIKeyFRQSCPCHLLNDDT-UHFFFAOYSA-N
XLogP3.33
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole
CID 117098302
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
5-piperidin-4-yloxy-2-propan-2-yl-1,3-benzoxazole
CID 117098143
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
CID 94407294
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine
CID 26190819
2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole
CID 84695591
5-(piperidin-3-ylmethoxy)-1H-indazole
CID 117051742
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
CID 42427116

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole (CID 117098151) is 5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole is CC(C)c1nc2cc(OCC3CCCNC3)ccc2o1.
What is the InChIKey of 5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole?
The InChIKey is FRQSCPCHLLNDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)16-18-14-8-13(5-6-15(14)20-16)19-10-12-4-3-7-17-9-12/h5-6,8,11-12,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole?
5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole has a molecular weight of 274.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 117098151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).