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

C20H20BrN3O3 — CID 25237925

IUPACN-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C20H20BrN3O3/c1-12(2)19-23-20(27-24-19)14-4-7-16(8-5-14)26-11-18(25)22-17-9-6-15(21)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,22,25)
InChIKeyPRVULSZGLAFVOU-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.95
Rot. Bonds6

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

N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 25237925) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID25237925
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1
InChIInChI=1S/C20H20BrN3O3/c1-12(2)19-23-20(27-24-19)14-4-7-16(8-5-14)26-11-18(25)22-17-9-6-15(21)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,22,25)
InChIKeyPRVULSZGLAFVOU-UHFFFAOYSA-N
XLogP4.95
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237928
N-(5-chloro-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237923
N-(3-chloro-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237929
N-(2-methylphenyl)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266701
N-(3-chlorophenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237975
N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237908
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 23010469
N-(3-methylbutyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238347
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 25237925) is N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is Cc1cc(Br)ccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is PRVULSZGLAFVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-12(2)19-23-20(27-24-19)14-4-7-16(8-5-14)26-11-18(25)22-17-9-6-15(21)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,22,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 430.30 g/mol, XLogP of 4.95, 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-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 25237925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).