2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide

C16H16N4O2 — CID 77093980

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide
SMILESCc1ccc2ncccc2c1CNC(=O)Cc1nonc1C
InChIInChI=1S/C16H16N4O2/c1-10-5-6-14-12(4-3-7-17-14)13(10)9-18-16(21)8-15-11(2)19-22-20-15/h3-7H,8-9H2,1-2H3,(H,18,21)
InChIKeyVASKAQCQZVPUIB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.09
Rot. Bonds4

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide (PubChem CID 77093980) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide
PubChem CID77093980
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide
SMILESCc1ccc2ncccc2c1CNC(=O)Cc1nonc1C
InChIInChI=1S/C16H16N4O2/c1-10-5-6-14-12(4-3-7-17-14)13(10)9-18-16(21)8-15-11(2)19-22-20-15/h3-7H,8-9H2,1-2H3,(H,18,21)
InChIKeyVASKAQCQZVPUIB-UHFFFAOYSA-N
XLogP2.09
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 126448649
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 97209684
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 25454870
(2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 125178048
1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 72888668
N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 131892196
tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate
CID 177323312
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 77092821
N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 23654563
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124954332
2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid
CID 91837165
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124978863

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide (CID 77093980) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide is Cc1ccc2ncccc2c1CNC(=O)Cc1nonc1C.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide?
The InChIKey is VASKAQCQZVPUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-5-6-14-12(4-3-7-17-14)13(10)9-18-16(21)8-15-11(2)19-22-20-15/h3-7H,8-9H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide is sourced from PubChem (CID 77093980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).