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

C15H16F2N2O2 — CID 66732240

IUPAC5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@@H](Cc3ccc(F)c(F)c3)C2)o[nH]1
InChIInChI=1S/C15H16F2N2O2/c16-12-2-1-9(6-13(12)17)5-11-7-10(3-4-18-11)14-8-15(20)19-21-14/h1-2,6,8,10-11,18H,3-5,7H2,(H,19,20)/t10-,11+/m1/s1
InChIKeyBNCWNQNIRDTIKX-MNOVXSKESA-N
MW294.30 g/mol
LogP2.32
Rot. Bonds3

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

5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 66732240) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID66732240
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@@H](Cc3ccc(F)c(F)c3)C2)o[nH]1
InChIInChI=1S/C15H16F2N2O2/c16-12-2-1-9(6-13(12)17)5-11-7-10(3-4-18-11)14-8-15(20)19-21-14/h1-2,6,8,10-11,18H,3-5,7H2,(H,19,20)/t10-,11+/m1/s1
InChIKeyBNCWNQNIRDTIKX-MNOVXSKESA-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

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

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Related Compounds

5-[2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732386
5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732779
acetic acid;5-[(2R,4S)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 175285078
5-[(2S,4R)-2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 87129192
5-[(2S,4S)-2-[(3,5-ditert-butylphenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732082
acetic acid;5-[2-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 174656837
acetic acid;5-[(2R,4S)-2-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 174657070
5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938043
5-[(2S,4S)-2-(2-methylpropyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938041
acetic acid;5-[(2R,4R)-2-(3,4-difluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 174722974
5-[(2S,4S)-2-(isoindol-2-ylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66978620
5-[(2S,4S)-2-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 56959875

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one (CID 66732240) is 5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one is O=c1cc([C@@H]2CCN[C@@H](Cc3ccc(F)c(F)c3)C2)o[nH]1.
What is the InChIKey of 5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is BNCWNQNIRDTIKX-MNOVXSKESA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-12-2-1-9(6-13(12)17)5-11-7-10(3-4-18-11)14-8-15(20)19-21-14/h1-2,6,8,10-11,18H,3-5,7H2,(H,19,20)/t10-,11+/m1/s1.
What are the key properties of 5-[(2R,4R)-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one?
5-[(2R,4R)-2-[(3,4-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-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 66732240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).