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

C15H19FN4O2 — CID 138003340

IUPACN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCc1ccc(F)c(CN(C)C)c1
InChIInChI=1S/C15H19FN4O2/c1-10-14(19-22-18-10)7-15(21)17-8-11-4-5-13(16)12(6-11)9-20(2)3/h4-6H,7-9H2,1-3H3,(H,17,21)
InChIKeyRWKKIKRHUFGBGX-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.44
Rot. Bonds6

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

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 138003340) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID138003340
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC NameN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCc1ccc(F)c(CN(C)C)c1
InChIInChI=1S/C15H19FN4O2/c1-10-14(19-22-18-10)7-15(21)17-8-11-4-5-13(16)12(6-11)9-20(2)3/h4-6H,7-9H2,1-3H3,(H,17,21)
InChIKeyRWKKIKRHUFGBGX-UHFFFAOYSA-N
XLogP1.44
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 138003340) is N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NCc1ccc(F)c(CN(C)C)c1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is RWKKIKRHUFGBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-10-14(19-22-18-10)7-15(21)17-8-11-4-5-13(16)12(6-11)9-20(2)3/h4-6H,7-9H2,1-3H3,(H,17,21).
What are the key properties of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 306.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 138003340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).