2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide

C19H22N4O4 — CID 51279135

IUPAC2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C19H22N4O4/c1-13(2)20-17(24)19(26)23-10-8-22(9-11-23)18(25)15-12-16(27-21-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyPBIPQJHKUQFASS-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.15
Rot. Bonds3

About 2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 51279135) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID51279135
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C19H22N4O4/c1-13(2)20-17(24)19(26)23-10-8-22(9-11-23)18(25)15-12-16(27-21-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyPBIPQJHKUQFASS-UHFFFAOYSA-N
XLogP1.15
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110619764
4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 119251838
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 35036906
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90510455
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110619740
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
[(3R)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292827
[(3S)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292828
(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70706302

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 51279135) is 2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of 2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is PBIPQJHKUQFASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13(2)20-17(24)19(26)23-10-8-22(9-11-23)18(25)15-12-16(27-21-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,20,24).
What are the key properties of 2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 370.41 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 51279135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).