N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

C15H19N5O3 — CID 31074227

IUPACN-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCN(Cc1ccon1)C(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H19N5O3/c1-18(10-12-4-7-23-17-12)15(22)11-20-14(21)8-13(9-16-20)19-5-2-3-6-19/h4,7-9H,2-3,5-6,10-11H2,1H3
InChIKeyXSGVPOVWTNHVHV-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.49
Rot. Bonds5

About N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 31074227) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
PubChem CID31074227
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCN(Cc1ccon1)C(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H19N5O3/c1-18(10-12-4-7-23-17-12)15(22)11-20-14(21)8-13(9-16-20)19-5-2-3-6-19/h4,7-9H,2-3,5-6,10-11H2,1H3
InChIKeyXSGVPOVWTNHVHV-UHFFFAOYSA-N
XLogP0.49
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (CID 31074227) is N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is CN(Cc1ccon1)C(=O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is XSGVPOVWTNHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-18(10-12-4-7-23-17-12)15(22)11-20-14(21)8-13(9-16-20)19-5-2-3-6-19/h4,7-9H,2-3,5-6,10-11H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 31074227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).