2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole

C15H10N4O4 — CID 12921346

IUPAC2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)o2)o1
InChIInChI=1S/C15H10N4O4/c20-19(21)14-6-5-12(22-14)15-18-17-13(23-15)7-9-8-16-11-4-2-1-3-10(9)11/h1-6,8,16H,7H2
InChIKeyJGNJJIDOEYLEPM-UHFFFAOYSA-N
MW310.27 g/mol
LogP3.31
Rot. Bonds4

About 2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole

2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole (PubChem CID 12921346) has the molecular formula C15H10N4O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole
PubChem CID12921346
Molecular FormulaC15H10N4O4
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC Name2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)o2)o1
InChIInChI=1S/C15H10N4O4/c20-19(21)14-6-5-12(22-14)15-18-17-13(23-15)7-9-8-16-11-4-2-1-3-10(9)11/h1-6,8,16H,7H2
InChIKeyJGNJJIDOEYLEPM-UHFFFAOYSA-N
XLogP3.31
TPSA110.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
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

[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(1H-indol-3-yl)acetate
CID 7663974
5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 15646289
5-(1H-indol-3-ylmethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 13104106
(E)-N-(2-aminophenyl)-3-[4-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
CID 118707840
2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137356
N'-[2-(1H-indol-3-yl)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide
CID 18274141
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 110652136
2-(1H-indol-3-yl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 110658473
3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 86272985
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110334003
2-[(4-nitrophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 13004923
3-[[4-ethyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 57475390

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole (CID 12921346) is 2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole is O=[N+]([O-])c1ccc(-c2nnc(Cc3c[nH]c4ccccc34)o2)o1.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole?
The InChIKey is JGNJJIDOEYLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4/c20-19(21)14-6-5-12(22-14)15-18-17-13(23-15)7-9-8-16-11-4-2-1-3-10(9)11/h1-6,8,16H,7H2.
What are the key properties of 2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole?
2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole has a molecular weight of 310.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 12921346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).