6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole

C18H19FN2O2 — CID 138038779

IUPAC6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCc1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)o1
InChIInChI=1S/C18H19FN2O2/c1-12-2-4-15(22-12)11-21-8-6-13(7-9-21)18-16-5-3-14(19)10-17(16)23-20-18/h2-5,10,13H,6-9,11H2,1H3
InChIKeyRRNKSPHDMKKZNY-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.25
Rot. Bonds3

About 6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 138038779) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID138038779
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCc1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)o1
InChIInChI=1S/C18H19FN2O2/c1-12-2-4-15(22-12)11-21-8-6-13(7-9-21)18-16-5-3-14(19)10-17(16)23-20-18/h2-5,10,13H,6-9,11H2,1H3
InChIKeyRRNKSPHDMKKZNY-UHFFFAOYSA-N
XLogP4.25
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole (CID 138038779) is 6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole is Cc1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)o1.
What is the InChIKey of 6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is RRNKSPHDMKKZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-2-4-15(22-12)11-21-8-6-13(7-9-21)18-16-5-3-14(19)10-17(16)23-20-18/h2-5,10,13H,6-9,11H2,1H3.
What are the key properties of 6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 314.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 138038779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).