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

C17H22FN5O3 — CID 78086018

IUPAC5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
SMILESCOCCc1noc(CN(C)C(=O)C2CC(c3ccc(F)cc3)NN2)n1
InChIInChI=1S/C17H22FN5O3/c1-23(10-16-19-15(22-26-16)7-8-25-2)17(24)14-9-13(20-21-14)11-3-5-12(18)6-4-11/h3-6,13-14,20-21H,7-10H2,1-2H3
InChIKeyHHLKRZGFERQIJP-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.96
Rot. Bonds7

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

5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide (PubChem CID 78086018) has the molecular formula C17H22FN5O3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
PubChem CID78086018
Molecular FormulaC17H22FN5O3
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
SMILESCOCCc1noc(CN(C)C(=O)C2CC(c3ccc(F)cc3)NN2)n1
InChIInChI=1S/C17H22FN5O3/c1-23(10-16-19-15(22-26-16)7-8-25-2)17(24)14-9-13(20-21-14)11-3-5-12(18)6-4-11/h3-6,13-14,20-21H,7-10H2,1-2H3
InChIKeyHHLKRZGFERQIJP-UHFFFAOYSA-N
XLogP0.96
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 91659747
3-(2-chloro-5-fluorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylurea
CID 71920225
2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 72931424
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide
CID 77085663
(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97132873
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
CID 120635057
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 118764635
1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea
CID 122569719
(3S)-1-[2-(4-chlorophenyl)ethyl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42215343
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(oxan-3-yl)acetamide
CID 131918540
5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide
CID 167886583

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide (CID 78086018) is 5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide is COCCc1noc(CN(C)C(=O)C2CC(c3ccc(F)cc3)NN2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide?
The InChIKey is HHLKRZGFERQIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3/c1-23(10-16-19-15(22-26-16)7-8-25-2)17(24)14-9-13(20-21-14)11-3-5-12(18)6-4-11/h3-6,13-14,20-21H,7-10H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide?
5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 78086018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).