(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone

C15H21F2N3O2 — CID 166600818

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone
SMILESCc1cc(CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)no1
InChIInChI=1S/C15H21F2N3O2/c1-11-8-13(18-22-11)10-19-5-2-12(9-19)14(21)20-6-3-15(16,17)4-7-20/h8,12H,2-7,9-10H2,1H3
InChIKeyOLVSTRPOJBDYSH-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.06
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone (PubChem CID 166600818) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone
PubChem CID166600818
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone
SMILESCc1cc(CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)no1
InChIInChI=1S/C15H21F2N3O2/c1-11-8-13(18-22-11)10-19-5-2-12(9-19)14(21)20-6-3-15(16,17)4-7-20/h8,12H,2-7,9-10H2,1H3
InChIKeyOLVSTRPOJBDYSH-UHFFFAOYSA-N
XLogP2.06
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone (CID 166600818) is (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone is Cc1cc(CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)no1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone?
The InChIKey is OLVSTRPOJBDYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-11-8-13(18-22-11)10-19-5-2-12(9-19)14(21)20-6-3-15(16,17)4-7-20/h8,12H,2-7,9-10H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone has a molecular weight of 313.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 166600818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).