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

C19H23F3N4O2 — CID 122669605

IUPACN-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN1CCCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H23F3N4O2/c1-13(12-26-10-4-2-3-5-11-26)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,2-5,10-12H2,1H3,(H,23,27)/t13-/m1/s1
InChIKeyIZFWXPXCTQFPQU-CYBMUJFWSA-N
MW396.41 g/mol
LogP3.75
Rot. Bonds5

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

N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 122669605) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID122669605
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC NameN-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN1CCCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H23F3N4O2/c1-13(12-26-10-4-2-3-5-11-26)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,2-5,10-12H2,1H3,(H,23,27)/t13-/m1/s1
InChIKeyIZFWXPXCTQFPQU-CYBMUJFWSA-N
XLogP3.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 122669605) is N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is C[C@H](CN1CCCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is IZFWXPXCTQFPQU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-13(12-26-10-4-2-3-5-11-26)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,2-5,10-12H2,1H3,(H,23,27)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 396.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(azepan-1-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 122669605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).