5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

C14H12BrN5O — CID 167810102

IUPAC5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESBrc1cncc2ccc(-c3nc([C@@H]4CCCN4)no3)nc12
InChIInChI=1S/C14H12BrN5O/c15-9-7-16-6-8-3-4-11(18-12(8)9)14-19-13(20-21-14)10-2-1-5-17-10/h3-4,6-7,10,17H,1-2,5H2/t10-/m0/s1
InChIKeyDXFKZGWJDNWVTP-JTQLQIEISA-N
MW346.19 g/mol
LogP2.87
Rot. Bonds2

About 5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 167810102) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID167810102
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESBrc1cncc2ccc(-c3nc([C@@H]4CCCN4)no3)nc12
InChIInChI=1S/C14H12BrN5O/c15-9-7-16-6-8-3-4-11(18-12(8)9)14-19-13(20-21-14)10-2-1-5-17-10/h3-4,6-7,10,17H,1-2,5H2/t10-/m0/s1
InChIKeyDXFKZGWJDNWVTP-JTQLQIEISA-N
XLogP2.87
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 167810102) is 5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is Brc1cncc2ccc(-c3nc([C@@H]4CCCN4)no3)nc12.
What is the InChIKey of 5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is DXFKZGWJDNWVTP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12BrN5O/c15-9-7-16-6-8-3-4-11(18-12(8)9)14-19-13(20-21-14)10-2-1-5-17-10/h3-4,6-7,10,17H,1-2,5H2/t10-/m0/s1.
What are the key properties of 5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 346.19 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-bromo-1,6-naphthyridin-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 167810102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).