[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone

C17H19FN6O2 — CID 169090083

IUPAC[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone
SMILESO=C(C1CCN(c2ncc(F)cn2)CC1)N1OCC[C@H]1c1cnccn1
InChIInChI=1S/C17H19FN6O2/c18-13-9-21-17(22-10-13)23-6-1-12(2-7-23)16(25)24-15(3-8-26-24)14-11-19-4-5-20-14/h4-5,9-12,15H,1-3,6-8H2/t15-/m0/s1
InChIKeyKQKBMABDSMZMMB-HNNXBMFYSA-N
MW358.38 g/mol
LogP1.53
Rot. Bonds3

About [1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone

[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone (PubChem CID 169090083) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is [1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone
PubChem CID169090083
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone
SMILESO=C(C1CCN(c2ncc(F)cn2)CC1)N1OCC[C@H]1c1cnccn1
InChIInChI=1S/C17H19FN6O2/c18-13-9-21-17(22-10-13)23-6-1-12(2-7-23)16(25)24-15(3-8-26-24)14-11-19-4-5-20-14/h4-5,9-12,15H,1-3,6-8H2/t15-/m0/s1
InChIKeyKQKBMABDSMZMMB-HNNXBMFYSA-N
XLogP1.53
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of [1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone (CID 169090083) is [1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for [1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for [1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone is O=C(C1CCN(c2ncc(F)cn2)CC1)N1OCC[C@H]1c1cnccn1.
What is the InChIKey of [1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone?
The InChIKey is KQKBMABDSMZMMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN6O2/c18-13-9-21-17(22-10-13)23-6-1-12(2-7-23)16(25)24-15(3-8-26-24)14-11-19-4-5-20-14/h4-5,9-12,15H,1-3,6-8H2/t15-/m0/s1.
What are the key properties of [1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone?
[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone has a molecular weight of 358.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 169090083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).