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

C13H16BrN5O2 — CID 102703285

IUPAC4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C13H16BrN5O2/c1-2-19-7-8(14)6-10(19)11(20)16-13-18-17-12(21-13)9-4-3-5-15-9/h6-7,9,15H,2-5H2,1H3,(H,16,18,20)
InChIKeyCMBOSOKRLGZHAL-UHFFFAOYSA-N
MW354.21 g/mol
LogP2.33
Rot. Bonds4

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

4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 102703285) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID102703285
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C13H16BrN5O2/c1-2-19-7-8(14)6-10(19)11(20)16-13-18-17-12(21-13)9-4-3-5-15-9/h6-7,9,15H,2-5H2,1H3,(H,16,18,20)
InChIKeyCMBOSOKRLGZHAL-UHFFFAOYSA-N
XLogP2.33
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide (CID 102703285) is 4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is CMBOSOKRLGZHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c1-2-19-7-8(14)6-10(19)11(20)16-13-18-17-12(21-13)9-4-3-5-15-9/h6-7,9,15H,2-5H2,1H3,(H,16,18,20).
What are the key properties of 4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 354.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 102703285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).