N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

C17H23N5O3 — CID 72893188

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCc1noc(C)c1CN(C)C(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C17H23N5O3/c1-12-15(13(2)25-19-12)10-20(3)17(24)11-22-16(23)8-14(9-18-22)21-6-4-5-7-21/h8-9H,4-7,10-11H2,1-3H3
InChIKeyLPRAZJCBVGZICP-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.11
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 72893188) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
PubChem CID72893188
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESCc1noc(C)c1CN(C)C(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C17H23N5O3/c1-12-15(13(2)25-19-12)10-20(3)17(24)11-22-16(23)8-14(9-18-22)21-6-4-5-7-21/h8-9H,4-7,10-11H2,1-3H3
InChIKeyLPRAZJCBVGZICP-UHFFFAOYSA-N
XLogP1.11
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 29257142
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60964165
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 72940518
N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 154900256
N-(6-methyl-1,3-benzodioxol-5-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 56854370
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea
CID 86831379
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55621643
5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 114396319
2-[4-(aminomethyl)triazol-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 115459393
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (CID 72893188) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is Cc1noc(C)c1CN(C)C(=O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is LPRAZJCBVGZICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-15(13(2)25-19-12)10-20(3)17(24)11-22-16(23)8-14(9-18-22)21-6-4-5-7-21/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 72893188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).