N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide

C19H19N5O3 — CID 20912739

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCCn1c2ccccc2c2cnn(CC(=O)Nc3cc(C)on3)c(=O)c21
InChIInChI=1S/C19H19N5O3/c1-3-8-23-15-7-5-4-6-13(15)14-10-20-24(19(26)18(14)23)11-17(25)21-16-9-12(2)27-22-16/h4-7,9-10H,3,8,11H2,1-2H3,(H,21,22,25)
InChIKeyLKEUDFYZSNMLGV-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.70
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 20912739) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID20912739
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCCn1c2ccccc2c2cnn(CC(=O)Nc3cc(C)on3)c(=O)c21
InChIInChI=1S/C19H19N5O3/c1-3-8-23-15-7-5-4-6-13(15)14-10-20-24(19(26)18(14)23)11-17(25)21-16-9-12(2)27-22-16/h4-7,9-10H,3,8,11H2,1-2H3,(H,21,22,25)
InChIKeyLKEUDFYZSNMLGV-UHFFFAOYSA-N
XLogP2.70
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912845
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
CID 22334744
N-(6-acetamido-3-pyridinyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912869
N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912890
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912920
methyl 6-[[2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetyl]amino]-1,3-benzodioxole-5-carboxylate
CID 20912867
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 20912886
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
CID 20912849
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912825
3-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
CID 20912808
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 20891948
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20891977

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide (CID 20912739) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide is CCCn1c2ccccc2c2cnn(CC(=O)Nc3cc(C)on3)c(=O)c21.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is LKEUDFYZSNMLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-3-8-23-15-7-5-4-6-13(15)14-10-20-24(19(26)18(14)23)11-17(25)21-16-9-12(2)27-22-16/h4-7,9-10H,3,8,11H2,1-2H3,(H,21,22,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 365.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 20912739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).