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

C14H14F4N2O2 — CID 171995742

IUPAC6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole
SMILESCOC1(C(F)(F)F)CCN(c2nc3ccc(F)cc3o2)CC1
InChIInChI=1S/C14H14F4N2O2/c1-21-13(14(16,17)18)4-6-20(7-5-13)12-19-10-3-2-9(15)8-11(10)22-12/h2-3,8H,4-7H2,1H3
InChIKeyOLPMZZPGQQEGEU-UHFFFAOYSA-N
MW318.27 g/mol
LogP3.51
Rot. Bonds2

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

6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole (PubChem CID 171995742) has the molecular formula C14H14F4N2O2 and a molecular weight of 318.27 g/mol. Its IUPAC name is 6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole
PubChem CID171995742
Molecular FormulaC14H14F4N2O2
Molecular Weight318.27 g/mol
Exact Mass318.10
IUPAC Name6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole
SMILESCOC1(C(F)(F)F)CCN(c2nc3ccc(F)cc3o2)CC1
InChIInChI=1S/C14H14F4N2O2/c1-21-13(14(16,17)18)4-6-20(7-5-13)12-19-10-3-2-9(15)8-11(10)22-12/h2-3,8H,4-7H2,1H3
InChIKeyOLPMZZPGQQEGEU-UHFFFAOYSA-N
XLogP3.51
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-1,3-benzoxazole
CID 171996704
6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
CID 175649082
6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
CID 163357218
6-fluoro-2-(4-methylidenepiperidin-1-yl)-1,3-benzoxazole
CID 172901646
6-fluoro-3-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171995587
2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole
CID 163348839
6-fluoro-2-[4-(9-methylpurin-6-yl)piperazin-1-yl]-1,3-benzoxazole
CID 154853693
2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172901359
6-fluoro-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 126910409
2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
CID 79882584
2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
N-cyclopentyl-2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]acetamide
CID 171994846

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole (CID 171995742) is 6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole is COC1(C(F)(F)F)CCN(c2nc3ccc(F)cc3o2)CC1.
What is the InChIKey of 6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole?
The InChIKey is OLPMZZPGQQEGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O2/c1-21-13(14(16,17)18)4-6-20(7-5-13)12-19-10-3-2-9(15)8-11(10)22-12/h2-3,8H,4-7H2,1H3.
What are the key properties of 6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole?
6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole has a molecular weight of 318.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 171995742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).