4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

C15H22FN3O2 — CID 126899770

IUPAC4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1oncc1CN1CCC(N2CC(CF)CC2=O)CC1
InChIInChI=1S/C15H22FN3O2/c1-11-13(8-17-21-11)10-18-4-2-14(3-5-18)19-9-12(7-16)6-15(19)20/h8,12,14H,2-7,9-10H2,1H3
InChIKeyLYTKHRJXGJMYQS-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.77
Rot. Bonds4

About 4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899770) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899770
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1oncc1CN1CCC(N2CC(CF)CC2=O)CC1
InChIInChI=1S/C15H22FN3O2/c1-11-13(8-17-21-11)10-18-4-2-14(3-5-18)19-9-12(7-16)6-15(19)20/h8,12,14H,2-7,9-10H2,1H3
InChIKeyLYTKHRJXGJMYQS-UHFFFAOYSA-N
XLogP1.77
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (CID 126899770) is 4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is Cc1oncc1CN1CCC(N2CC(CF)CC2=O)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is LYTKHRJXGJMYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-11-13(8-17-21-11)10-18-4-2-14(3-5-18)19-9-12(7-16)6-15(19)20/h8,12,14H,2-7,9-10H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 295.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).