N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide

C16H14N6O2 — CID 142314460

IUPACN-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide
SMILESN#Cc1cccc(-c2nnc(NC(=O)CC3CCN(C#N)C3)o2)c1
InChIInChI=1S/C16H14N6O2/c17-8-11-2-1-3-13(6-11)15-20-21-16(24-15)19-14(23)7-12-4-5-22(9-12)10-18/h1-3,6,12H,4-5,7,9H2,(H,19,21,23)
InChIKeyMKWLTURTVIPRDG-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.74
Rot. Bonds4

About N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide

N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide (PubChem CID 142314460) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide
PubChem CID142314460
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC NameN-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide
SMILESN#Cc1cccc(-c2nnc(NC(=O)CC3CCN(C#N)C3)o2)c1
InChIInChI=1S/C16H14N6O2/c17-8-11-2-1-3-13(6-11)15-20-21-16(24-15)19-14(23)7-12-4-5-22(9-12)10-18/h1-3,6,12H,4-5,7,9H2,(H,19,21,23)
InChIKeyMKWLTURTVIPRDG-UHFFFAOYSA-N
XLogP1.74
TPSA118.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide?
The IUPAC name of N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide (CID 142314460) is N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide?
The canonical SMILES for N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide is N#Cc1cccc(-c2nnc(NC(=O)CC3CCN(C#N)C3)o2)c1.
What is the InChIKey of N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide?
The InChIKey is MKWLTURTVIPRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c17-8-11-2-1-3-13(6-11)15-20-21-16(24-15)19-14(23)7-12-4-5-22(9-12)10-18/h1-3,6,12H,4-5,7,9H2,(H,19,21,23).
What are the key properties of N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide?
N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide has a molecular weight of 322.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-(1-cyanopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 142314460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).