3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide

C22H25N5O2 — CID 45498025

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C22H25N5O2/c1-15-19(16(2)29-26-15)8-11-22(28)23-18-7-5-6-17(14-18)20-9-10-21(25-24-20)27-12-3-4-13-27/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,23,28)
InChIKeySJSCKZFPNUYLGM-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.92
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 45498025) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID45498025
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C22H25N5O2/c1-15-19(16(2)29-26-15)8-11-22(28)23-18-7-5-6-17(14-18)20-9-10-21(25-24-20)27-12-3-4-13-27/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,23,28)
InChIKeySJSCKZFPNUYLGM-UHFFFAOYSA-N
XLogP3.92
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide
CID 43991392
2,2,2-trifluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7422488
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,3-diphenylpropanamide
CID 43991321
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 43991338
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408
2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991637
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 41077765
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 135974780

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide (CID 45498025) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide is Cc1noc(C)c1CCC(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is SJSCKZFPNUYLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-19(16(2)29-26-15)8-11-22(28)23-18-7-5-6-17(14-18)20-9-10-21(25-24-20)27-12-3-4-13-27/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,23,28).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 391.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 45498025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).