2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole

C10H6N4O3 — CID 135859975

IUPAC2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cccc2[nH]c(-c3nnco3)cc12
InChIInChI=1S/C10H6N4O3/c15-14(16)9-3-1-2-7-6(9)4-8(12-7)10-13-11-5-17-10/h1-5,12H
InChIKeyMEWRNNPCVPPKOB-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.13
Rot. Bonds2

About 2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole

2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole (PubChem CID 135859975) has the molecular formula C10H6N4O3 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole
PubChem CID135859975
Molecular FormulaC10H6N4O3
Molecular Weight230.18 g/mol
Exact Mass230.04
IUPAC Name2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cccc2[nH]c(-c3nnco3)cc12
InChIInChI=1S/C10H6N4O3/c15-14(16)9-3-1-2-7-6(9)4-8(12-7)10-13-11-5-17-10/h1-5,12H
InChIKeyMEWRNNPCVPPKOB-UHFFFAOYSA-N
XLogP2.13
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-nitro-2-phenyl-1H-indole
CID 14960157
2-tert-butyl-4-nitro-1H-indole
CID 15852040
2-ethyl-4-nitro-1H-indole
CID 13047994
2-chloro-4-nitro-1H-indole;quinoline
CID 174954659
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-nitro-1H-indol-2-yl)oxolane-3,4-diol
CID 67175144
N-(N'-methylcarbamimidoyl)-4-nitro-1H-indole-2-carboxamide
CID 70216647
N-(2-methyl-3-nitrophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9083705
4-nitro-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile
CID 133478061
3-(4-methylphenyl)-5-nitro-2H-isoquinolin-1-one
CID 90203030
2-ethenyl-4-nitro-1H-benzimidazole
CID 11127049
4-nitro-2-[(4-nitro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 129046933
3,6-bis(2-nitrophenyl)-9H-carbazole
CID 129277402

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole (CID 135859975) is 2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole is O=[N+]([O-])c1cccc2[nH]c(-c3nnco3)cc12.
What is the InChIKey of 2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole?
The InChIKey is MEWRNNPCVPPKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O3/c15-14(16)9-3-1-2-7-6(9)4-8(12-7)10-13-11-5-17-10/h1-5,12H.
What are the key properties of 2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole?
2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole has a molecular weight of 230.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 135859975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).