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

C17H19F3N4O2 — CID 71230767

IUPACN-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C17H19F3N4O2/c1-11(10-24-8-2-3-9-24)21-15(25)13-6-4-12(5-7-13)14-22-16(26-23-14)17(18,19)20/h4-7,11H,2-3,8-10H2,1H3,(H,21,25)/t11-/m1/s1
InChIKeyGPAXDYNOSUVDDO-LLVKDONJSA-N
MW368.36 g/mol
LogP2.97
Rot. Bonds5

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

N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230767) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230767
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C17H19F3N4O2/c1-11(10-24-8-2-3-9-24)21-15(25)13-6-4-12(5-7-13)14-22-16(26-23-14)17(18,19)20/h4-7,11H,2-3,8-10H2,1H3,(H,21,25)/t11-/m1/s1
InChIKeyGPAXDYNOSUVDDO-LLVKDONJSA-N
XLogP2.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230767) is N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is C[C@H](CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is GPAXDYNOSUVDDO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-11(10-24-8-2-3-9-24)21-15(25)13-6-4-12(5-7-13)14-22-16(26-23-14)17(18,19)20/h4-7,11H,2-3,8-10H2,1H3,(H,21,25)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 368.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).