6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole

C15H18N2O2 — CID 116870937

IUPAC6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole
SMILESc1nc2ccc(C3(C4CCCCN4)COC3)cc2o1
InChIInChI=1S/C15H18N2O2/c1-2-6-16-14(3-1)15(8-18-9-15)11-4-5-12-13(7-11)19-10-17-12/h4-5,7,10,14,16H,1-3,6,8-9H2
InChIKeyCYJGWNCBQDENGE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.24
Rot. Bonds2

About 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole

6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole (PubChem CID 116870937) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole
PubChem CID116870937
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole
SMILESc1nc2ccc(C3(C4CCCCN4)COC3)cc2o1
InChIInChI=1S/C15H18N2O2/c1-2-6-16-14(3-1)15(8-18-9-15)11-4-5-12-13(7-11)19-10-17-12/h4-5,7,10,14,16H,1-3,6,8-9H2
InChIKeyCYJGWNCBQDENGE-UHFFFAOYSA-N
XLogP2.24
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole
CID 116870823
3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide
CID 116876205
5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one
CID 116870825
1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
CID 116935433
3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine
CID 116870084
1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869292
3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propanenitrile
CID 116873395
1,3-benzoxazol-6-amine
CID 584120
2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine
CID 116870952
N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine
CID 115209518
4-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]butanoic acid
CID 116871995
1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
CID 116935891

Frequently Asked Questions

What is the IUPAC name of 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole?
The IUPAC name of 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole (CID 116870937) is 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole is c1nc2ccc(C3(C4CCCCN4)COC3)cc2o1.
What is the InChIKey of 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole?
The InChIKey is CYJGWNCBQDENGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-6-16-14(3-1)15(8-18-9-15)11-4-5-12-13(7-11)19-10-17-12/h4-5,7,10,14,16H,1-3,6,8-9H2.
What are the key properties of 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole?
6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole has a molecular weight of 258.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 116870937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).