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

C20H20BrN3O3 — CID 25237928

IUPACN-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(Br)c1
InChIInChI=1S/C20H20BrN3O3/c1-12(2)19-23-20(27-24-19)14-5-7-15(8-6-14)26-11-18(25)22-17-9-4-13(3)10-16(17)21/h4-10,12H,11H2,1-3H3,(H,22,25)
InChIKeyZFCNDZVDRFZJHQ-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.95
Rot. Bonds6

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

N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 25237928) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID25237928
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(Br)c1
InChIInChI=1S/C20H20BrN3O3/c1-12(2)19-23-20(27-24-19)14-5-7-15(8-6-14)26-11-18(25)22-17-9-4-13(3)10-16(17)21/h4-10,12H,11H2,1-3H3,(H,22,25)
InChIKeyZFCNDZVDRFZJHQ-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-(4-bromo-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237925
N-(5-chloro-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237923
N-(2-bromo-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556220
N-(3-chloro-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237929
N-(3-acetylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237908
N-(3-chlorophenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237975
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
N-(2-methylphenyl)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266701
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
N-(2,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745776
N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713871

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 25237928) is N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is ZFCNDZVDRFZJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-12(2)19-23-20(27-24-19)14-5-7-15(8-6-14)26-11-18(25)22-17-9-4-13(3)10-16(17)21/h4-10,12H,11H2,1-3H3,(H,22,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-(2-bromo-4-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-(2-bromo-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 25237928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).