N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

C16H15BrN4O2 — CID 53138261

IUPACN-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)NCc2ccc(Br)cc2)no1
InChIInChI=1S/C16H15BrN4O2/c1-11-19-15(20-23-11)10-21-8-2-3-14(21)16(22)18-9-12-4-6-13(17)7-5-12/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyCPILWWGVGBIXSJ-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.92
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 53138261) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID53138261
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC NameN-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)NCc2ccc(Br)cc2)no1
InChIInChI=1S/C16H15BrN4O2/c1-11-19-15(20-23-11)10-21-8-2-3-14(21)16(22)18-9-12-4-6-13(17)7-5-12/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyCPILWWGVGBIXSJ-UHFFFAOYSA-N
XLogP2.92
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400981
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107226
N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 53138219
3-[(4-bromophenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 23404141
N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61410236
1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 141085829
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 44518147
5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 81422735
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 136518742
N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide
CID 95094169

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (CID 53138261) is N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is Cc1nc(Cn2cccc2C(=O)NCc2ccc(Br)cc2)no1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is CPILWWGVGBIXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c1-11-19-15(20-23-11)10-21-8-2-3-14(21)16(22)18-9-12-4-6-13(17)7-5-12/h2-8H,9-10H2,1H3,(H,18,22).
What are the key properties of N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 375.23 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 53138261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).