2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H15N5O2 — CID 52996156

IUPAC2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C#N)Cc2cnn(C)c2C)no1
InChIInChI=1S/C13H15N5O2/c1-8-4-12(17-20-8)16-13(19)10(6-14)5-11-7-15-18(3)9(11)2/h4,7,10H,5H2,1-3H3,(H,16,17,19)
InChIKeyFZQFACMUHRXIKX-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.35
Rot. Bonds4

About 2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 52996156) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID52996156
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C#N)Cc2cnn(C)c2C)no1
InChIInChI=1S/C13H15N5O2/c1-8-4-12(17-20-8)16-13(19)10(6-14)5-11-7-15-18(3)9(11)2/h4,7,10H,5H2,1-3H3,(H,16,17,19)
InChIKeyFZQFACMUHRXIKX-UHFFFAOYSA-N
XLogP1.35
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 52996156) is 2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C#N)Cc2cnn(C)c2C)no1.
What is the InChIKey of 2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is FZQFACMUHRXIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-4-12(17-20-8)16-13(19)10(6-14)5-11-7-15-18(3)9(11)2/h4,7,10H,5H2,1-3H3,(H,16,17,19).
What are the key properties of 2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 273.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 52996156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).