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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(2-ethyl-4-pyridinyl)-1,2-oxazole-5-carboxamide
CID 170247442
N-(1-cyanopyrrolidin-3-yl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 122590495
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
CID 122590587
2-(3-cyanophenyl)-N-(1-cyanopyrrolidin-3-yl)pyridine-4-carboxamide
CID 155229705
N-(1-cyanopyrrolidin-3-yl)-2-fluoro-4-(2-methylpyrimidin-4-yl)benzamide
CID 122590548
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide
CID 162678154
N-[(1-cyanopyrrolidin-3-yl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 129246891
3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 119425159
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 51079604
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
CID 46480197
N-(1-cyanopyrrolidin-3-yl)-4-[methyl(2-methylpropanoyl)amino]pyridine-2-carboxamide
CID 134363605

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).