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

C17H23FN4O3 — CID 72931424

IUPAC2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
SMILESCOCCc1noc(CN(C)C(=O)C(c2ccccc2F)N(C)C)n1
InChIInChI=1S/C17H23FN4O3/c1-21(2)16(12-7-5-6-8-13(12)18)17(23)22(3)11-15-19-14(20-25-15)9-10-24-4/h5-8,16H,9-11H2,1-4H3
InChIKeyDMDWUSQQMWWALB-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.66
Rot. Bonds8

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

2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide (PubChem CID 72931424) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
PubChem CID72931424
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC Name2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
SMILESCOCCc1noc(CN(C)C(=O)C(c2ccccc2F)N(C)C)n1
InChIInChI=1S/C17H23FN4O3/c1-21(2)16(12-7-5-6-8-13(12)18)17(23)22(3)11-15-19-14(20-25-15)9-10-24-4/h5-8,16H,9-11H2,1-4H3
InChIKeyDMDWUSQQMWWALB-UHFFFAOYSA-N
XLogP1.66
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide with MolForge

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Related Compounds

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 97197907
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide
CID 77085663
5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
CID 78086018
3-(2-chloro-5-fluorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylurea
CID 71920225
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 91659747
5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
CID 120635057
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
CID 135112631
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 124730233
2-phenylethyl (2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetate
CID 66728374
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 118764635
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide (CID 72931424) is 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide is COCCc1noc(CN(C)C(=O)C(c2ccccc2F)N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The InChIKey is DMDWUSQQMWWALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c1-21(2)16(12-7-5-6-8-13(12)18)17(23)22(3)11-15-19-14(20-25-15)9-10-24-4/h5-8,16H,9-11H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide has a molecular weight of 350.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 72931424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).