3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole

C23H24FN3O3 — CID 13078384

IUPAC3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole
SMILESCOc1ccc2onc(C3CCN(CCCc4noc5cc(F)ccc45)CC3)c2c1
InChIInChI=1S/C23H24FN3O3/c1-28-17-5-7-21-19(14-17)23(26-29-21)15-8-11-27(12-9-15)10-2-3-20-18-6-4-16(24)13-22(18)30-25-20/h4-7,13-15H,2-3,8-12H2,1H3
InChIKeyXUTQMDPMIMSQIC-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.93
Rot. Bonds6

About 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole

3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole (PubChem CID 13078384) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole.

Molecular Properties

Compound Name3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole
PubChem CID13078384
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole
SMILESCOc1ccc2onc(C3CCN(CCCc4noc5cc(F)ccc45)CC3)c2c1
InChIInChI=1S/C23H24FN3O3/c1-28-17-5-7-21-19(14-17)23(26-29-21)15-8-11-27(12-9-15)10-2-3-20-18-6-4-16(24)13-22(18)30-25-20/h4-7,13-15H,2-3,8-12H2,1H3
InChIKeyXUTQMDPMIMSQIC-UHFFFAOYSA-N
XLogP4.93
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole?
The IUPAC name of 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole (CID 13078384) is 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole.
What is the SMILES notation for 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole?
The canonical SMILES for 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole is COc1ccc2onc(C3CCN(CCCc4noc5cc(F)ccc45)CC3)c2c1.
What is the InChIKey of 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole?
The InChIKey is XUTQMDPMIMSQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-28-17-5-7-21-19(14-17)23(26-29-21)15-8-11-27(12-9-15)10-2-3-20-18-6-4-16(24)13-22(18)30-25-20/h4-7,13-15H,2-3,8-12H2,1H3.
What are the key properties of 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole?
3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole has a molecular weight of 409.46 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole is sourced from PubChem (CID 13078384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).