3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole

C14H12N4O2 — CID 97436994

IUPAC3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
SMILESc1cnc2cc(-c3nc([C@H]4CCOC4)no3)ccc2n1
InChIInChI=1S/C14H12N4O2/c1-2-11-12(16-5-4-15-11)7-9(1)14-17-13(18-20-14)10-3-6-19-8-10/h1-2,4-5,7,10H,3,6,8H2/t10-/m0/s1
InChIKeyVVFPFWKUBNTOOF-JTQLQIEISA-N
MW268.28 g/mol
LogP2.18
Rot. Bonds2

About 3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole

3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole (PubChem CID 97436994) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
PubChem CID97436994
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
SMILESc1cnc2cc(-c3nc([C@H]4CCOC4)no3)ccc2n1
InChIInChI=1S/C14H12N4O2/c1-2-11-12(16-5-4-15-11)7-9(1)14-17-13(18-20-14)10-3-6-19-8-10/h1-2,4-5,7,10H,3,6,8H2/t10-/m0/s1
InChIKeyVVFPFWKUBNTOOF-JTQLQIEISA-N
XLogP2.18
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-Nitrophenyl)-3-(2-pyridyl)-1,2,4-oxadiazole
CID 867096
N-Benzyl-N-methyl-2-nitro-4-[3-(pyridin-4-YL)-1,2,4-oxadiazol-5-YL]aniline
CID 16016004
N-Ethyl-2-nitro-4-[3-(pyridin-2-YL)-1,2,4-oxadiazol-5-YL]aniline
CID 16016016
N-Butyl-2-nitro-4-[3-(pyridin-2-YL)-1,2,4-oxadiazol-5-YL]aniline
CID 16016036
2-Nitro-N-(propan-2-YL)-4-[3-(pyridin-2-YL)-1,2,4-oxadiazol-5-YL]aniline
CID 16016038
N,N-diethyl-2-nitro-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 16016042
N-(2-Methoxyethyl)-2-nitro-4-[3-(pyridin-2-YL)-1,2,4-oxadiazol-5-YL]aniline
CID 16016044
N-Benzyl-2-nitro-4-[3-(pyridin-2-YL)-1,2,4-oxadiazol-5-YL]aniline
CID 16016046
N-Benzyl-N-methyl-2-nitro-4-[3-(pyridin-2-YL)-1,2,4-oxadiazol-5-YL]aniline
CID 16016048
2-Nitro-N-(1-phenylethyl)-4-[3-(pyridin-2-YL)-1,2,4-oxadiazol-5-YL]aniline
CID 16016070
2-Nitro-N-(1-phenylpropyl)-4-[3-(pyridin-2-YL)-1,2,4-oxadiazol-5-YL]aniline
CID 16016072
2-Nitro-4-(3-phenyl-1,2,4-oxadiazol-5-YL)-N-[(pyridin-3-YL)methyl]aniline
CID 16016208

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole (CID 97436994) is 3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole is c1cnc2cc(-c3nc([C@H]4CCOC4)no3)ccc2n1.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole?
The InChIKey is VVFPFWKUBNTOOF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12N4O2/c1-2-11-12(16-5-4-15-11)7-9(1)14-17-13(18-20-14)10-3-6-19-8-10/h1-2,4-5,7,10H,3,6,8H2/t10-/m0/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole?
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole has a molecular weight of 268.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole is sourced from PubChem (CID 97436994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).