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

C18H18FN3O — CID 138038804

IUPAC6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole
SMILESCc1cc(N2CCC(c3noc4cc(F)ccc34)CC2)ccn1
InChIInChI=1S/C18H18FN3O/c1-12-10-15(4-7-20-12)22-8-5-13(6-9-22)18-16-3-2-14(19)11-17(16)23-21-18/h2-4,7,10-11,13H,5-6,8-9H2,1H3
InChIKeyLCFODALNKWFXTF-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.05
Rot. Bonds2

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

6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole (PubChem CID 138038804) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole
PubChem CID138038804
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole
SMILESCc1cc(N2CCC(c3noc4cc(F)ccc34)CC2)ccn1
InChIInChI=1S/C18H18FN3O/c1-12-10-15(4-7-20-12)22-8-5-13(6-9-22)18-16-3-2-14(19)11-17(16)23-21-18/h2-4,7,10-11,13H,5-6,8-9H2,1H3
InChIKeyLCFODALNKWFXTF-UHFFFAOYSA-N
XLogP4.05
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.05
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-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole (CID 138038804) is 6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole is Cc1cc(N2CCC(c3noc4cc(F)ccc34)CC2)ccn1.
What is the InChIKey of 6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is LCFODALNKWFXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-12-10-15(4-7-20-12)22-8-5-13(6-9-22)18-16-3-2-14(19)11-17(16)23-21-18/h2-4,7,10-11,13H,5-6,8-9H2,1H3.
What are the key properties of 6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 311.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 138038804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).