3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole

C14H13N5O — CID 63317724

IUPAC3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
SMILESc1cnc2cc(-c3nc(C4CCCN4)no3)ccc2n1
InChIInChI=1S/C14H13N5O/c1-2-11(15-5-1)13-18-14(20-19-13)9-3-4-10-12(8-9)17-7-6-16-10/h3-4,6-8,11,15H,1-2,5H2
InChIKeyTWWGSAOPKMEORQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.10
Rot. Bonds2

About 3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole

3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole (PubChem CID 63317724) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
PubChem CID63317724
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
SMILESc1cnc2cc(-c3nc(C4CCCN4)no3)ccc2n1
InChIInChI=1S/C14H13N5O/c1-2-11(15-5-1)13-18-14(20-19-13)9-3-4-10-12(8-9)17-7-6-16-10/h3-4,6-8,11,15H,1-2,5H2
InChIKeyTWWGSAOPKMEORQ-UHFFFAOYSA-N
XLogP2.10
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole?
The IUPAC name of 3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole (CID 63317724) is 3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole is c1cnc2cc(-c3nc(C4CCCN4)no3)ccc2n1.
What is the InChIKey of 3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole?
The InChIKey is TWWGSAOPKMEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-2-11(15-5-1)13-18-14(20-19-13)9-3-4-10-12(8-9)17-7-6-16-10/h3-4,6-8,11,15H,1-2,5H2.
What are the key properties of 3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole?
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole has a molecular weight of 267.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63317724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).