(2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid

C16H20N4O4 — CID 95291470

IUPAC(2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCc1noc(C)c1CN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H20N4O4/c1-9-13(10(2)24-18-9)8-20-14(21)5-4-12(16(22)23)15(20)11-6-17-19(3)7-11/h6-7,12,15H,4-5,8H2,1-3H3,(H,22,23)/t12-,15-/m1/s1
InChIKeyXVVJGRMQRXXNAL-IUODEOHRSA-N
MW332.36 g/mol
LogP1.59
Rot. Bonds4

About (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid

(2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 95291470) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
PubChem CID95291470
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name(2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCc1noc(C)c1CN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H20N4O4/c1-9-13(10(2)24-18-9)8-20-14(21)5-4-12(16(22)23)15(20)11-6-17-19(3)7-11/h6-7,12,15H,4-5,8H2,1-3H3,(H,22,23)/t12-,15-/m1/s1
InChIKeyXVVJGRMQRXXNAL-IUODEOHRSA-N
XLogP1.59
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95291447
(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxo-2-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 95332145
(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(thiophen-3-ylmethyl)piperidine-3-carboxylic acid
CID 95321612
(2R,3S)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 95291535
(2S,3S)-1-(3-cyclopentyloxypropyl)-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291380
(2R,3R)-1-[2-(2-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291497
(2R,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(2-pyridin-3-ylethyl)piperidine-3-carboxylic acid
CID 95763670
(2S,3R)-1-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291524
(2R,3S)-6-oxo-2-pyridin-3-yl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 95291784
8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118744669
(2R,3R)-2-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 95763632
2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid
CID 104823678

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid (CID 95291470) is (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid is Cc1noc(C)c1CN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cnn(C)c1.
What is the InChIKey of (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is XVVJGRMQRXXNAL-IUODEOHRSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9-13(10(2)24-18-9)8-20-14(21)5-4-12(16(22)23)15(20)11-6-17-19(3)7-11/h6-7,12,15H,4-5,8H2,1-3H3,(H,22,23)/t12-,15-/m1/s1.
What are the key properties of (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
(2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 95291470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).