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

C12H14BrN5O2 — CID 102703279

IUPAC4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C12H14BrN5O2/c1-18-6-7(13)5-9(18)10(19)15-12-17-16-11(20-12)8-3-2-4-14-8/h5-6,8,14H,2-4H2,1H3,(H,15,17,19)
InChIKeyPQCNBWLVRCVRSH-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.85
Rot. Bonds3

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

4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 102703279) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID102703279
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C12H14BrN5O2/c1-18-6-7(13)5-9(18)10(19)15-12-17-16-11(20-12)8-3-2-4-14-8/h5-6,8,14H,2-4H2,1H3,(H,15,17,19)
InChIKeyPQCNBWLVRCVRSH-UHFFFAOYSA-N
XLogP1.85
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide (CID 102703279) is 4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is PQCNBWLVRCVRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-18-6-7(13)5-9(18)10(19)15-12-17-16-11(20-12)8-3-2-4-14-8/h5-6,8,14H,2-4H2,1H3,(H,15,17,19).
What are the key properties of 4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 340.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 102703279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).