2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C17H18F4N4O2 — CID 71230802

IUPAC2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C17H18F4N4O2/c1-10(9-25-6-2-3-7-25)22-15(26)12-5-4-11(8-13(12)18)14-23-16(27-24-14)17(19,20)21/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,22,26)
InChIKeyPXMISIRKDSDEBN-UHFFFAOYSA-N
MW386.35 g/mol
LogP3.11
Rot. Bonds5

About 2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230802) has the molecular formula C17H18F4N4O2 and a molecular weight of 386.35 g/mol. Its IUPAC name is 2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230802
Molecular FormulaC17H18F4N4O2
Molecular Weight386.35 g/mol
Exact Mass386.14
IUPAC Name2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C17H18F4N4O2/c1-10(9-25-6-2-3-7-25)22-15(26)12-5-4-11(8-13(12)18)14-23-16(27-24-14)17(19,20)21/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,22,26)
InChIKeyPXMISIRKDSDEBN-UHFFFAOYSA-N
XLogP3.11
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230802) is 2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CC(CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F.
What is the InChIKey of 2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is PXMISIRKDSDEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N4O2/c1-10(9-25-6-2-3-7-25)22-15(26)12-5-4-11(8-13(12)18)14-23-16(27-24-14)17(19,20)21/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,22,26).
What are the key properties of 2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 386.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).