N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide

C16H21BrN4O2 — CID 42946951

IUPACN-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
SMILESCCc1noc(C(C)N(C)CC(=O)Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C16H21BrN4O2/c1-5-14-19-16(23-20-14)11(3)21(4)9-15(22)18-13-7-6-12(17)8-10(13)2/h6-8,11H,5,9H2,1-4H3,(H,18,22)
InChIKeyCGMXLAJSOOGYEU-UHFFFAOYSA-N
MW381.27 g/mol
LogP3.33
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide (PubChem CID 42946951) has the molecular formula C16H21BrN4O2 and a molecular weight of 381.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
PubChem CID42946951
Molecular FormulaC16H21BrN4O2
Molecular Weight381.27 g/mol
Exact Mass380.08
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
SMILESCCc1noc(C(C)N(C)CC(=O)Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C16H21BrN4O2/c1-5-14-19-16(23-20-14)11(3)21(4)9-15(22)18-13-7-6-12(17)8-10(13)2/h6-8,11H,5,9H2,1-4H3,(H,18,22)
InChIKeyCGMXLAJSOOGYEU-UHFFFAOYSA-N
XLogP3.33
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide (CID 42946951) is N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide is CCc1noc(C(C)N(C)CC(=O)Nc2ccc(Br)cc2C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide?
The InChIKey is CGMXLAJSOOGYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O2/c1-5-14-19-16(23-20-14)11(3)21(4)9-15(22)18-13-7-6-12(17)8-10(13)2/h6-8,11H,5,9H2,1-4H3,(H,18,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide has a molecular weight of 381.27 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide is sourced from PubChem (CID 42946951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).