N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

C18H18BrN3O2S — CID 39718287

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H18BrN3O2S/c1-22(12-14-10-11-15(19)25-14)17(23)9-5-8-16-20-21-18(24-16)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyZBAXHJQYDWCBSA-UHFFFAOYSA-N
MW420.33 g/mol
LogP4.54
Rot. Bonds7

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (PubChem CID 39718287) has the molecular formula C18H18BrN3O2S and a molecular weight of 420.33 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
PubChem CID39718287
Molecular FormulaC18H18BrN3O2S
Molecular Weight420.33 g/mol
Exact Mass419.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H18BrN3O2S/c1-22(12-14-10-11-15(19)25-14)17(23)9-5-8-16-20-21-18(24-16)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyZBAXHJQYDWCBSA-UHFFFAOYSA-N
XLogP4.54
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
methyl 4-[[methyl-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]benzoate
CID 37414906
N-[(5-bromothiophen-2-yl)methyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 39736873
3-(2-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide;hydrochloride
CID 120608213
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31746270
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 42096470
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31105412
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 60988081
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 78792249

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (CID 39718287) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is CN(Cc1ccc(Br)s1)C(=O)CCCc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The InChIKey is ZBAXHJQYDWCBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2S/c1-22(12-14-10-11-15(19)25-14)17(23)9-5-8-16-20-21-18(24-16)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide has a molecular weight of 420.33 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is sourced from PubChem (CID 39718287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).