(3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid

C16H16F2N2O3 — CID 129394063

IUPAC(3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1
InChIInChI=1S/C16H16F2N2O3/c17-13-4-3-10(6-14(13)18)15-19-12(9-23-15)8-20-5-1-2-11(7-20)16(21)22/h3-4,6,9,11H,1-2,5,7-8H2,(H,21,22)/t11-/m1/s1
InChIKeyRFFQQOBWFOFFNU-LLVKDONJSA-N
MW322.31 g/mol
LogP2.92
Rot. Bonds4

About (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid

(3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 129394063) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid
PubChem CID129394063
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name(3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1
InChIInChI=1S/C16H16F2N2O3/c17-13-4-3-10(6-14(13)18)15-19-12(9-23-15)8-20-5-1-2-11(7-20)16(21)22/h3-4,6,9,11H,1-2,5,7-8H2,(H,21,22)/t11-/m1/s1
InChIKeyRFFQQOBWFOFFNU-LLVKDONJSA-N
XLogP2.92
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63031516
N-(2-aminoethyl)-1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 119916782
(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 51961377
(3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 95153578
(3R)-N-[(2S)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 95153579
1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 122040854
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
4-[[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]methyl]-2-(3,4-difluorophenyl)-1,3-oxazole
CID 86903257
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 62547236
N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 55995549
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
2-(3,4-difluorophenyl)-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95570853

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid (CID 129394063) is (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1.
What is the InChIKey of (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is RFFQQOBWFOFFNU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c17-13-4-3-10(6-14(13)18)15-19-12(9-23-15)8-20-5-1-2-11(7-20)16(21)22/h3-4,6,9,11H,1-2,5,7-8H2,(H,21,22)/t11-/m1/s1.
What are the key properties of (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid?
(3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 322.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129394063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).