4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide

C13H15BrN4O2 — CID 60955971

IUPAC4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C13H15BrN4O2/c1-2-5-18-7-9(14)6-10(18)11(19)15-13-17-16-12(20-13)8-3-4-8/h6-8H,2-5H2,1H3,(H,15,17,19)
InChIKeyJOQLTBXOCGYWPS-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.17
Rot. Bonds5

About 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 60955971) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide
PubChem CID60955971
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C13H15BrN4O2/c1-2-5-18-7-9(14)6-10(18)11(19)15-13-17-16-12(20-13)8-3-4-8/h6-8H,2-5H2,1H3,(H,15,17,19)
InChIKeyJOQLTBXOCGYWPS-UHFFFAOYSA-N
XLogP3.17
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide (CID 60955971) is 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is JOQLTBXOCGYWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-2-5-18-7-9(14)6-10(18)11(19)15-13-17-16-12(20-13)8-3-4-8/h6-8H,2-5H2,1H3,(H,15,17,19).
What are the key properties of 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 60955971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).