N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide

C20H21N5O3 — CID 95207303

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)no1
InChIInChI=1S/C20H21N5O3/c1-13-10-17(24-28-13)22-19(26)20(27)25-9-5-8-15(12-25)18-16(11-21-23-18)14-6-3-2-4-7-14/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,21,23)(H,22,24,26)/t15-/m0/s1
InChIKeyVJYJVUZKXPLCJA-HNNXBMFYSA-N
MW379.42 g/mol
LogP2.72
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 95207303) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
PubChem CID95207303
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)no1
InChIInChI=1S/C20H21N5O3/c1-13-10-17(24-28-13)22-19(26)20(27)25-9-5-8-15(12-25)18-16(11-21-23-18)14-6-3-2-4-7-14/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,21,23)(H,22,24,26)/t15-/m0/s1
InChIKeyVJYJVUZKXPLCJA-HNNXBMFYSA-N
XLogP2.72
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56744023
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
(3S)-3-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 42164664
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95188060
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56738871
1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 95216001
(2-methoxypyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95226344
2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 95196951
6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 95217243
N-[3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 70731856
1H-indol-2-yl-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95213633
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70722084

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide (CID 95207303) is N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide is Cc1cc(NC(=O)C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is VJYJVUZKXPLCJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-10-17(24-28-13)22-19(26)20(27)25-9-5-8-15(12-25)18-16(11-21-23-18)14-6-3-2-4-7-14/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,21,23)(H,22,24,26)/t15-/m0/s1.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95207303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).