1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

C17H24FN3O2 — CID 126899870

IUPAC1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2noc3c2CCC3)CC1
InChIInChI=1S/C17H24FN3O2/c18-9-12-8-17(22)21(10-12)13-4-6-20(7-5-13)11-15-14-2-1-3-16(14)23-19-15/h12-13H,1-11H2
InChIKeyHOWQJYRREKNXKP-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.95
Rot. Bonds4

About 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899870) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899870
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2noc3c2CCC3)CC1
InChIInChI=1S/C17H24FN3O2/c18-9-12-8-17(22)21(10-12)13-4-6-20(7-5-13)11-15-14-2-1-3-16(14)23-19-15/h12-13H,1-11H2
InChIKeyHOWQJYRREKNXKP-UHFFFAOYSA-N
XLogP1.95
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899870) is 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(Cc2noc3c2CCC3)CC1.
What is the InChIKey of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is HOWQJYRREKNXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-9-12-8-17(22)21(10-12)13-4-6-20(7-5-13)11-15-14-2-1-3-16(14)23-19-15/h12-13H,1-11H2.
What are the key properties of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 321.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).