5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

C11H12BrN5O — CID 136541551

IUPAC5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ncncc3Br)C2)n1
InChIInChI=1S/C11H12BrN5O/c1-7-15-11(18-16-7)8-2-3-17(5-8)10-9(12)4-13-6-14-10/h4,6,8H,2-3,5H2,1H3
InChIKeyJECUZVHOHBPZAZ-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.92
Rot. Bonds2

About 5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 136541551) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID136541551
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ncncc3Br)C2)n1
InChIInChI=1S/C11H12BrN5O/c1-7-15-11(18-16-7)8-2-3-17(5-8)10-9(12)4-13-6-14-10/h4,6,8H,2-3,5H2,1H3
InChIKeyJECUZVHOHBPZAZ-UHFFFAOYSA-N
XLogP1.92
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 136541551) is 5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCN(c3ncncc3Br)C2)n1.
What is the InChIKey of 5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is JECUZVHOHBPZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-7-15-11(18-16-7)8-2-3-17(5-8)10-9(12)4-13-6-14-10/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 310.16 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 136541551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).