(3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid

C21H22F3N3O4 — CID 134209430

IUPAC(3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
SMILESO=C(N[C@@H]1CCN(C2CCCC2)C[C@H]1C(=O)O)c1cc(-c2c(F)cc(F)cc2F)on1
InChIInChI=1S/C21H22F3N3O4/c22-11-7-14(23)19(15(24)8-11)18-9-17(26-31-18)20(28)25-16-5-6-27(10-13(16)21(29)30)12-3-1-2-4-12/h7-9,12-13,16H,1-6,10H2,(H,25,28)(H,29,30)/t13-,16-/m1/s1
InChIKeyXPBZJKJZMSSFDT-CZUORRHYSA-N
MW437.42 g/mol
LogP3.21
Rot. Bonds5

About (3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid

(3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid (PubChem CID 134209430) has the molecular formula C21H22F3N3O4 and a molecular weight of 437.42 g/mol. Its IUPAC name is (3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
PubChem CID134209430
Molecular FormulaC21H22F3N3O4
Molecular Weight437.42 g/mol
Exact Mass437.16
IUPAC Name(3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
SMILESO=C(N[C@@H]1CCN(C2CCCC2)C[C@H]1C(=O)O)c1cc(-c2c(F)cc(F)cc2F)on1
InChIInChI=1S/C21H22F3N3O4/c22-11-7-14(23)19(15(24)8-11)18-9-17(26-31-18)20(28)25-16-5-6-27(10-13(16)21(29)30)12-3-1-2-4-12/h7-9,12-13,16H,1-6,10H2,(H,25,28)(H,29,30)/t13-,16-/m1/s1
InChIKeyXPBZJKJZMSSFDT-CZUORRHYSA-N
XLogP3.21
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-[(1S,2S)-2-methylcyclopentyl]-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 138676271
N-[1-cyclohexyl-3-(methylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 138676272
(3R,4R)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-[(1S,2R)-2-methylcyclopentyl]piperidine-3-carboxylic acid
CID 151912713
methyl (3S,4S)-1-cyclobutyl-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate
CID 134209318
1-cyclopentyl-4-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 134209273
N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 138676169
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 134210401
2-(1-amino-9H-fluoren-2-yl)-2-methylpropanenitrile;(3R,4R)-1-cyclohexyl-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 159515565
N-[(3R,4R)-1-cyclohexyl-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 138676097
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 134209960
N-[(3S,4S)-1-cyclobutyl-3-(1-pyrimidin-2-ylethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 164607348
4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-[(1-methylcyclobutyl)methyl]piperidine-3-carboxylic acid
CID 134209470

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid (CID 134209430) is (3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid is O=C(N[C@@H]1CCN(C2CCCC2)C[C@H]1C(=O)O)c1cc(-c2c(F)cc(F)cc2F)on1.
What is the InChIKey of (3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid?
The InChIKey is XPBZJKJZMSSFDT-CZUORRHYSA-N. The full InChI is InChI=1S/C21H22F3N3O4/c22-11-7-14(23)19(15(24)8-11)18-9-17(26-31-18)20(28)25-16-5-6-27(10-13(16)21(29)30)12-3-1-2-4-12/h7-9,12-13,16H,1-6,10H2,(H,25,28)(H,29,30)/t13-,16-/m1/s1.
What are the key properties of (3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid?
(3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid has a molecular weight of 437.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-cyclopentyl-4-[[5-(2,4,6-trifluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid is sourced from PubChem (CID 134209430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).