N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide

C16H16N4O4 — CID 91770853

IUPACN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESCOCc1noc(CNC(=O)Cn2ccc(=O)c3ccccc32)n1
InChIInChI=1S/C16H16N4O4/c1-23-10-14-18-16(24-19-14)8-17-15(22)9-20-7-6-13(21)11-4-2-3-5-12(11)20/h2-7H,8-10H2,1H3,(H,17,22)
InChIKeyXNMYEDICSXFHTD-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.85
Rot. Bonds6

About N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 91770853) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID91770853
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESCOCc1noc(CNC(=O)Cn2ccc(=O)c3ccccc32)n1
InChIInChI=1S/C16H16N4O4/c1-23-10-14-18-16(24-19-14)8-17-15(22)9-20-7-6-13(21)11-4-2-3-5-12(11)20/h2-7H,8-10H2,1H3,(H,17,22)
InChIKeyXNMYEDICSXFHTD-UHFFFAOYSA-N
XLogP0.85
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 122556066
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2-pyrrol-1-ylpropanamide
CID 122558648
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 125440172
4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 91794074
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 91833337
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
CID 154906711
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide (CID 91770853) is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide is COCc1noc(CNC(=O)Cn2ccc(=O)c3ccccc32)n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is XNMYEDICSXFHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-23-10-14-18-16(24-19-14)8-17-15(22)9-20-7-6-13(21)11-4-2-3-5-12(11)20/h2-7H,8-10H2,1H3,(H,17,22).
What are the key properties of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide?
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 328.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 91770853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).