2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide

C19H22BrN3O2 — CID 71792027

IUPAC2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
SMILESO=C(Cc1ccccc1Br)NC1(c2nc(C3CC3)no2)CCCCC1
InChIInChI=1S/C19H22BrN3O2/c20-15-7-3-2-6-14(15)12-16(24)22-19(10-4-1-5-11-19)18-21-17(23-25-18)13-8-9-13/h2-3,6-7,13H,1,4-5,8-12H2,(H,22,24)
InChIKeyRYXYKNMHYQOQKN-UHFFFAOYSA-N
MW404.31 g/mol
LogP4.23
Rot. Bonds5

About 2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide

2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide (PubChem CID 71792027) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
PubChem CID71792027
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
SMILESO=C(Cc1ccccc1Br)NC1(c2nc(C3CC3)no2)CCCCC1
InChIInChI=1S/C19H22BrN3O2/c20-15-7-3-2-6-14(15)12-16(24)22-19(10-4-1-5-11-19)18-21-17(23-25-18)13-8-9-13/h2-3,6-7,13H,1,4-5,8-12H2,(H,22,24)
InChIKeyRYXYKNMHYQOQKN-UHFFFAOYSA-N
XLogP4.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide (CID 71792027) is 2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide is O=C(Cc1ccccc1Br)NC1(c2nc(C3CC3)no2)CCCCC1.
What is the InChIKey of 2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The InChIKey is RYXYKNMHYQOQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c20-15-7-3-2-6-14(15)12-16(24)22-19(10-4-1-5-11-19)18-21-17(23-25-18)13-8-9-13/h2-3,6-7,13H,1,4-5,8-12H2,(H,22,24).
What are the key properties of 2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide has a molecular weight of 404.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide is sourced from PubChem (CID 71792027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).