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

C26H25N5O4 — CID 20912890

IUPACN-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCCn1c2ccccc2c2cnn(CC(=O)Nc3cc(-c4ccc(OCC)cc4)no3)c(=O)c21
InChIInChI=1S/C26H25N5O4/c1-3-13-30-22-8-6-5-7-19(22)20-15-27-31(26(33)25(20)30)16-23(32)28-24-14-21(29-35-24)17-9-11-18(12-10-17)34-4-2/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,28,32)
InChIKeyCUKZOBIKNUIEIC-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.45
Rot. Bonds8

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

N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 20912890) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID20912890
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC NameN-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCCn1c2ccccc2c2cnn(CC(=O)Nc3cc(-c4ccc(OCC)cc4)no3)c(=O)c21
InChIInChI=1S/C26H25N5O4/c1-3-13-30-22-8-6-5-7-19(22)20-15-27-31(26(33)25(20)30)16-23(32)28-24-14-21(29-35-24)17-9-11-18(12-10-17)34-4-2/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,28,32)
InChIKeyCUKZOBIKNUIEIC-UHFFFAOYSA-N
XLogP4.45
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912739
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
methyl 6-[[2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetyl]amino]-1,3-benzodioxole-5-carboxylate
CID 20912867
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912920
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 20912886
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912825
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 20891948
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide
CID 20891863
N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892227
3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
CID 56544822

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide (CID 20912890) is N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide is CCCn1c2ccccc2c2cnn(CC(=O)Nc3cc(-c4ccc(OCC)cc4)no3)c(=O)c21.
What is the InChIKey of N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is CUKZOBIKNUIEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-3-13-30-22-8-6-5-7-19(22)20-15-27-31(26(33)25(20)30)16-23(32)28-24-14-21(29-35-24)17-9-11-18(12-10-17)34-4-2/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,28,32).
What are the key properties of N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide?
N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 471.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 20912890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).