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

C16H23F2N3O3 — CID 124991930

IUPAC[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)no1
InChIInChI=1S/C16H23F2N3O3/c1-2-12-9-13(19-24-12)14(22)21-8-3-15(23,11-21)10-20-6-4-16(17,18)5-7-20/h9,23H,2-8,10-11H2,1H3/t15-/m1/s1
InChIKeyPMSBINOARIOJCW-OAHLLOKOSA-N
MW343.37 g/mol
LogP1.55
Rot. Bonds4

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

[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone (PubChem CID 124991930) has the molecular formula C16H23F2N3O3 and a molecular weight of 343.37 g/mol. Its IUPAC name is [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
PubChem CID124991930
Molecular FormulaC16H23F2N3O3
Molecular Weight343.37 g/mol
Exact Mass343.17
IUPAC Name[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)no1
InChIInChI=1S/C16H23F2N3O3/c1-2-12-9-13(19-24-12)14(22)21-8-3-15(23,11-21)10-20-6-4-16(17,18)5-7-20/h9,23H,2-8,10-11H2,1H3/t15-/m1/s1
InChIKeyPMSBINOARIOJCW-OAHLLOKOSA-N
XLogP1.55
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone (CID 124991930) is [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone is CCc1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)no1.
What is the InChIKey of [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The InChIKey is PMSBINOARIOJCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23F2N3O3/c1-2-12-9-13(19-24-12)14(22)21-8-3-15(23,11-21)10-20-6-4-16(17,18)5-7-20/h9,23H,2-8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone has a molecular weight of 343.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 124991930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).