5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C15H18FN5O3 — CID 72911652

IUPAC5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)C(c2cccc(F)c2)N(C)C)n1
InChIInChI=1S/C15H18FN5O3/c1-17-15(23)13-19-11(24-20-13)8-18-14(22)12(21(2)3)9-5-4-6-10(16)7-9/h4-7,12H,8H2,1-3H3,(H,17,23)(H,18,22)
InChIKeyQUGNOFFGGLCBAR-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.49
Rot. Bonds6

About 5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 72911652) has the molecular formula C15H18FN5O3 and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID72911652
Molecular FormulaC15H18FN5O3
Molecular Weight335.34 g/mol
Exact Mass335.14
IUPAC Name5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)C(c2cccc(F)c2)N(C)C)n1
InChIInChI=1S/C15H18FN5O3/c1-17-15(23)13-19-11(24-20-13)8-18-14(22)12(21(2)3)9-5-4-6-10(16)7-9/h4-7,12H,8H2,1-3H3,(H,17,23)(H,18,22)
InChIKeyQUGNOFFGGLCBAR-UHFFFAOYSA-N
XLogP0.49
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 72911652) is 5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CNC(=O)C(c2cccc(F)c2)N(C)C)n1.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QUGNOFFGGLCBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3/c1-17-15(23)13-19-11(24-20-13)8-18-14(22)12(21(2)3)9-5-4-6-10(16)7-9/h4-7,12H,8H2,1-3H3,(H,17,23)(H,18,22).
What are the key properties of 5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 72911652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).