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

C20H21BrN4O2 — CID 53155318

IUPACN-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide
SMILESCc1cc(-c2nnc(C3CC3)o2)c(C)n1CC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C20H21BrN4O2/c1-12-8-17(20-24-23-19(27-20)15-6-7-15)13(2)25(12)11-18(26)22-10-14-4-3-5-16(21)9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,22,26)
InChIKeyAROXFQNGWTXDNY-UHFFFAOYSA-N
MW429.32 g/mol
LogP4.11
Rot. Bonds6

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

N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide (PubChem CID 53155318) has the molecular formula C20H21BrN4O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide
PubChem CID53155318
Molecular FormulaC20H21BrN4O2
Molecular Weight429.32 g/mol
Exact Mass428.08
IUPAC NameN-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide
SMILESCc1cc(-c2nnc(C3CC3)o2)c(C)n1CC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C20H21BrN4O2/c1-12-8-17(20-24-23-19(27-20)15-6-7-15)13(2)25(12)11-18(26)22-10-14-4-3-5-16(21)9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,22,26)
InChIKeyAROXFQNGWTXDNY-UHFFFAOYSA-N
XLogP4.11
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 53155359
2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 53155412
N-[(3-bromophenyl)methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53028024
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53155334
N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155482
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide
CID 87050372
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 53155219
N-[(2,4-difluorophenyl)methyl]-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155528
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide
CID 20885262
N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155523
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide (CID 53155318) is N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide is Cc1cc(-c2nnc(C3CC3)o2)c(C)n1CC(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide?
The InChIKey is AROXFQNGWTXDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O2/c1-12-8-17(20-24-23-19(27-20)15-6-7-15)13(2)25(12)11-18(26)22-10-14-4-3-5-16(21)9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide?
N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide has a molecular weight of 429.32 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide is sourced from PubChem (CID 53155318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).