5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide

C15H19FN4O3 — CID 167886583

IUPAC5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide
SMILESCOCCc1nc(CNc2ccc(F)cc2C(=O)N(C)C)no1
InChIInChI=1S/C15H19FN4O3/c1-20(2)15(21)11-8-10(16)4-5-12(11)17-9-13-18-14(23-19-13)6-7-22-3/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyGCAQJMQPLTXMAN-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.71
Rot. Bonds7

About 5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide

5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide (PubChem CID 167886583) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide
PubChem CID167886583
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Name5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide
SMILESCOCCc1nc(CNc2ccc(F)cc2C(=O)N(C)C)no1
InChIInChI=1S/C15H19FN4O3/c1-20(2)15(21)11-8-10(16)4-5-12(11)17-9-13-18-14(23-19-13)6-7-22-3/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyGCAQJMQPLTXMAN-UHFFFAOYSA-N
XLogP1.71
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-fluoro-1H-indol-2-yl)methyl]-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylurea
CID 122569719
3-(2-chloro-5-fluorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylurea
CID 71920225
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72843604
2,4,5-trifluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 84599390
2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline
CID 126793239
5-fluoro-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzenecarbothioamide
CID 106418026
1-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methyl-1-benzofuran-5-yl)urea
CID 72864349
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633
N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131950712
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-difluorobenzamide
CID 91763292
5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
CID 78086018
N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 91759697

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide (CID 167886583) is 5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide is COCCc1nc(CNc2ccc(F)cc2C(=O)N(C)C)no1.
What is the InChIKey of 5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide?
The InChIKey is GCAQJMQPLTXMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3/c1-20(2)15(21)11-8-10(16)4-5-12(11)17-9-13-18-14(23-19-13)6-7-22-3/h4-5,8,17H,6-7,9H2,1-3H3.
What are the key properties of 5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide?
5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide has a molecular weight of 322.34 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 167886583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).