[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone

C18H21FN2O2 — CID 27817184

IUPAC[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone
SMILESCC1C[C@@H](C)N(C(=O)c2cc(-c3ccc(F)cc3)no2)[C@@H](C)C1
InChIInChI=1S/C18H21FN2O2/c1-11-8-12(2)21(13(3)9-11)18(22)17-10-16(20-23-17)14-4-6-15(19)7-5-14/h4-7,10-13H,8-9H2,1-3H3/t11?,12-,13+
InChIKeyYGXSIECDCBRGFF-YHWZYXNKSA-N
MW316.38 g/mol
LogP4.13
Rot. Bonds2

About [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone (PubChem CID 27817184) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone
PubChem CID27817184
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone
SMILESCC1C[C@@H](C)N(C(=O)c2cc(-c3ccc(F)cc3)no2)[C@@H](C)C1
InChIInChI=1S/C18H21FN2O2/c1-11-8-12(2)21(13(3)9-11)18(22)17-10-16(20-23-17)14-4-6-15(19)7-5-14/h4-7,10-13H,8-9H2,1-3H3/t11?,12-,13+
InChIKeyYGXSIECDCBRGFF-YHWZYXNKSA-N
XLogP4.13
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone (CID 27817184) is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone is CC1C[C@@H](C)N(C(=O)c2cc(-c3ccc(F)cc3)no2)[C@@H](C)C1.
What is the InChIKey of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone?
The InChIKey is YGXSIECDCBRGFF-YHWZYXNKSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-11-8-12(2)21(13(3)9-11)18(22)17-10-16(20-23-17)14-4-6-15(19)7-5-14/h4-7,10-13H,8-9H2,1-3H3/t11?,12-,13+.
What are the key properties of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone?
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 27817184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).