6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole

C16H22N2O2 — CID 102696219

IUPAC6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
SMILESCCCC1(c2nc3ccc(OC)cc3o2)CCCNC1
InChIInChI=1S/C16H22N2O2/c1-3-7-16(8-4-9-17-11-16)15-18-13-6-5-12(19-2)10-14(13)20-15/h5-6,10,17H,3-4,7-9,11H2,1-2H3
InChIKeyGVOVTZLVFLXDEI-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.26
Rot. Bonds4

About 6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole

6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole (PubChem CID 102696219) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
PubChem CID102696219
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
SMILESCCCC1(c2nc3ccc(OC)cc3o2)CCCNC1
InChIInChI=1S/C16H22N2O2/c1-3-7-16(8-4-9-17-11-16)15-18-13-6-5-12(19-2)10-14(13)20-15/h5-6,10,17H,3-4,7-9,11H2,1-2H3
InChIKeyGVOVTZLVFLXDEI-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole?
The IUPAC name of 6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole (CID 102696219) is 6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole?
The canonical SMILES for 6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole is CCCC1(c2nc3ccc(OC)cc3o2)CCCNC1.
What is the InChIKey of 6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole?
The InChIKey is GVOVTZLVFLXDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-7-16(8-4-9-17-11-16)15-18-13-6-5-12(19-2)10-14(13)20-15/h5-6,10,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole?
6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole has a molecular weight of 274.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 102696219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).