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

C13H13BrN4O2 — CID 60955973

IUPAC4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H13BrN4O2/c14-8-5-10(18(6-8)9-3-4-9)11(19)15-13-17-16-12(20-13)7-1-2-7/h5-7,9H,1-4H2,(H,15,17,19)
InChIKeyAFURCJCNAOEBNA-UHFFFAOYSA-N
MW337.18 g/mol
LogP3.10
Rot. Bonds4

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

4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 60955973) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID60955973
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H13BrN4O2/c14-8-5-10(18(6-8)9-3-4-9)11(19)15-13-17-16-12(20-13)7-1-2-7/h5-7,9H,1-4H2,(H,15,17,19)
InChIKeyAFURCJCNAOEBNA-UHFFFAOYSA-N
XLogP3.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide (CID 60955973) is 4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide is O=C(Nc1nnc(C2CC2)o1)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is AFURCJCNAOEBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c14-8-5-10(18(6-8)9-3-4-9)11(19)15-13-17-16-12(20-13)7-1-2-7/h5-7,9H,1-4H2,(H,15,17,19).
What are the key properties of 4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 60955973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).