5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one

C15H16F2N2O2 — CID 66732779

IUPAC5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@@H](Cc3cc(F)cc(F)c3)C2)o[nH]1
InChIInChI=1S/C15H16F2N2O2/c16-11-3-9(4-12(17)7-11)5-13-6-10(1-2-18-13)14-8-15(20)19-21-14/h3-4,7-8,10,13,18H,1-2,5-6H2,(H,19,20)/t10-,13+/m1/s1
InChIKeyIDXNHRVMJRCITA-MFKMUULPSA-N
MW294.30 g/mol
LogP2.32
Rot. Bonds3

About 5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one

5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 66732779) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID66732779
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@@H](Cc3cc(F)cc(F)c3)C2)o[nH]1
InChIInChI=1S/C15H16F2N2O2/c16-11-3-9(4-12(17)7-11)5-13-6-10(1-2-18-13)14-8-15(20)19-21-14/h3-4,7-8,10,13,18H,1-2,5-6H2,(H,19,20)/t10-,13+/m1/s1
InChIKeyIDXNHRVMJRCITA-MFKMUULPSA-N
XLogP2.32
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one (CID 66732779) is 5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one is O=c1cc([C@@H]2CCN[C@@H](Cc3cc(F)cc(F)c3)C2)o[nH]1.
What is the InChIKey of 5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is IDXNHRVMJRCITA-MFKMUULPSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-11-3-9(4-12(17)7-11)5-13-6-10(1-2-18-13)14-8-15(20)19-21-14/h3-4,7-8,10,13,18H,1-2,5-6H2,(H,19,20)/t10-,13+/m1/s1.
What are the key properties of 5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 294.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 66732779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).