2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid

C17H16F3N5O4 — CID 154887876

IUPAC2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCc1nonc1CN(C)C(=O)c1ccccc1-c1ncc[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N5O2.C2HF3O2/c1-10-13(19-22-18-10)9-20(2)15(21)12-6-4-3-5-11(12)14-16-7-8-17-14;3-2(4,5)1(6)7/h3-8H,9H2,1-2H3,(H,16,17);(H,6,7)
InChIKeyQWVDDXAWMGVNLD-UHFFFAOYSA-N
MW411.34 g/mol
LogP2.67
Rot. Bonds4

About 2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid

2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 154887876) has the molecular formula C17H16F3N5O4 and a molecular weight of 411.34 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid
PubChem CID154887876
Molecular FormulaC17H16F3N5O4
Molecular Weight411.34 g/mol
Exact Mass411.12
IUPAC Name2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCc1nonc1CN(C)C(=O)c1ccccc1-c1ncc[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N5O2.C2HF3O2/c1-10-13(19-22-18-10)9-20(2)15(21)12-6-4-3-5-11(12)14-16-7-8-17-14;3-2(4,5)1(6)7/h3-8H,9H2,1-2H3,(H,16,17);(H,6,7)
InChIKeyQWVDDXAWMGVNLD-UHFFFAOYSA-N
XLogP2.67
TPSA125.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid (CID 154887876) is 2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid is Cc1nonc1CN(C)C(=O)c1ccccc1-c1ncc[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is QWVDDXAWMGVNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.C2HF3O2/c1-10-13(19-22-18-10)9-20(2)15(21)12-6-4-3-5-11(12)14-16-7-8-17-14;3-2(4,5)1(6)7/h3-8H,9H2,1-2H3,(H,16,17);(H,6,7).
What are the key properties of 2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid?
2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 411.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).