N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C16H21FN4O2 — CID 16673635

IUPACN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)N(CCN(C)C)Cc1ccccc1F
InChIInChI=1S/C16H21FN4O2/c1-12-15(19-23-18-12)10-16(22)21(9-8-20(2)3)11-13-6-4-5-7-14(13)17/h4-7H,8-11H2,1-3H3
InChIKeyLZMXCYQUABLEAO-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.65
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 16673635) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID16673635
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)N(CCN(C)C)Cc1ccccc1F
InChIInChI=1S/C16H21FN4O2/c1-12-15(19-23-18-12)10-16(22)21(9-8-20(2)3)11-13-6-4-5-7-14(13)17/h4-7H,8-11H2,1-3H3
InChIKeyLZMXCYQUABLEAO-UHFFFAOYSA-N
XLogP1.65
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 24816744
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-{3-oxo-1-[3-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 16188922
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 16189060
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50966503
(1S*,5R*)-6-benzyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133120578
N-[1-(4-fluorophenyl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16674508
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 26398459
N-(2-(2,4-difluorophenyl)-1-{1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-4-piperidinyl}ethyl)-N-methylpropanamide
CID 45182543
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}acetamide
CID 45191343
7-(3,4-Difluorobenzyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 45198042
N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-3-piperidinyl)methyl]acetamide
CID 45221658
4-fluoro-N-({1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-piperidinyl}methyl)benzamide
CID 45226099

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 16673635) is N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)N(CCN(C)C)Cc1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is LZMXCYQUABLEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-12-15(19-23-18-12)10-16(22)21(9-8-20(2)3)11-13-6-4-5-7-14(13)17/h4-7H,8-11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 16673635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).