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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Related Compounds

3-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 155980403
3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 163344432
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole
CID 163344185
6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
CID 138038779
6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole
CID 57303749
6-fluoro-3-(1-methylpiperidin-4-yl)-1,2-benzoxazole;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;methane;hydrochloride
CID 159928028
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
6-fluoro-3-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2-benzoxazole
CID 163352118
2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol
CID 67592974
4-chloro-5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 138038811
6-fluoro-3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 15384967

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).