N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide

C16H18N4O5S — CID 51111295

IUPACN'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESCS(=O)(=O)N1CCCC1C(=O)NNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H18N4O5S/c1-26(23,24)20-9-5-8-13(20)16(22)18-17-15(21)12-10-14(25-19-12)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,17,21)(H,18,22)
InChIKeyMBYOXDNXJDEQQV-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.53
Rot. Bonds4

About N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide

N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide (PubChem CID 51111295) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
PubChem CID51111295
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC NameN'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESCS(=O)(=O)N1CCCC1C(=O)NNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H18N4O5S/c1-26(23,24)20-9-5-8-13(20)16(22)18-17-15(21)12-10-14(25-19-12)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,17,21)(H,18,22)
InChIKeyMBYOXDNXJDEQQV-UHFFFAOYSA-N
XLogP0.53
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide (CID 51111295) is N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide is CS(=O)(=O)N1CCCC1C(=O)NNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is MBYOXDNXJDEQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-26(23,24)20-9-5-8-13(20)16(22)18-17-15(21)12-10-14(25-19-12)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 378.41 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 51111295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).