N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide

C15H15N5O2 — CID 122590609

IUPACN-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC3CCN(C#N)C3)on2)ccn1
InChIInChI=1S/C15H15N5O2/c1-10-6-11(2-4-17-10)13-7-14(22-19-13)15(21)18-12-3-5-20(8-12)9-16/h2,4,6-7,12H,3,5,8H2,1H3,(H,18,21)
InChIKeyISGLFFANKQXKOM-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.33
Rot. Bonds3

About N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide

N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide (PubChem CID 122590609) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide
PubChem CID122590609
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC3CCN(C#N)C3)on2)ccn1
InChIInChI=1S/C15H15N5O2/c1-10-6-11(2-4-17-10)13-7-14(22-19-13)15(21)18-12-3-5-20(8-12)9-16/h2,4,6-7,12H,3,5,8H2,1H3,(H,18,21)
InChIKeyISGLFFANKQXKOM-UHFFFAOYSA-N
XLogP1.33
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide (CID 122590609) is N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide is Cc1cc(-c2cc(C(=O)NC3CCN(C#N)C3)on2)ccn1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ISGLFFANKQXKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10-6-11(2-4-17-10)13-7-14(22-19-13)15(21)18-12-3-5-20(8-12)9-16/h2,4,6-7,12H,3,5,8H2,1H3,(H,18,21).
What are the key properties of N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide?
N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)-3-(2-methyl-4-pyridinyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 122590609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).