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

C12H11N3O4 — CID 99964177

IUPAC3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cccc(-c2noc([C@H]3CCCO3)n2)c1
InChIInChI=1S/C12H11N3O4/c16-15(17)9-4-1-3-8(7-9)11-13-12(19-14-11)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2/t10-/m1/s1
InChIKeyFPIKZUQSUXOMGR-SNVBAGLBSA-N
MW261.24 g/mol
LogP2.50
Rot. Bonds3

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

3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole (PubChem CID 99964177) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
PubChem CID99964177
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cccc(-c2noc([C@H]3CCCO3)n2)c1
InChIInChI=1S/C12H11N3O4/c16-15(17)9-4-1-3-8(7-9)11-13-12(19-14-11)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2/t10-/m1/s1
InChIKeyFPIKZUQSUXOMGR-SNVBAGLBSA-N
XLogP2.50
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 63344671
3-(2-methoxy-5-nitrophenyl)-5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole
CID 100688724
4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83191770
5-(dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 46739367
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 60835770
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
5-(4-methylphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 877489
5-(furan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 699740
(3-nitrophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7415815
5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 45208254
2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61264368

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole (CID 99964177) is 3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole is O=[N+]([O-])c1cccc(-c2noc([C@H]3CCCO3)n2)c1.
What is the InChIKey of 3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
The InChIKey is FPIKZUQSUXOMGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-15(17)9-4-1-3-8(7-9)11-13-12(19-14-11)10-5-2-6-18-10/h1,3-4,7,10H,2,5-6H2/t10-/m1/s1.
What are the key properties of 3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole has a molecular weight of 261.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 99964177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).