2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide

C16H16N4O2 — CID 153311693

IUPAC2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
SMILESN#CN1CCC(CC(=O)Nc2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C16H16N4O2/c17-11-20-7-6-12(10-20)8-15(21)18-16-9-14(19-22-16)13-4-2-1-3-5-13/h1-5,9,12H,6-8,10H2,(H,18,21)
InChIKeyMWXORCURPAWGGU-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.47
Rot. Bonds4

About 2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide

2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide (PubChem CID 153311693) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
PubChem CID153311693
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
SMILESN#CN1CCC(CC(=O)Nc2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C16H16N4O2/c17-11-20-7-6-12(10-20)8-15(21)18-16-9-14(19-22-16)13-4-2-1-3-5-13/h1-5,9,12H,6-8,10H2,(H,18,21)
InChIKeyMWXORCURPAWGGU-UHFFFAOYSA-N
XLogP2.47
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide (CID 153311693) is 2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide is N#CN1CCC(CC(=O)Nc2cc(-c3ccccc3)no2)C1.
What is the InChIKey of 2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is MWXORCURPAWGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-11-20-7-6-12(10-20)8-15(21)18-16-9-14(19-22-16)13-4-2-1-3-5-13/h1-5,9,12H,6-8,10H2,(H,18,21).
What are the key properties of 2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide?
2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanopyrrolidin-3-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 153311693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).