5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole

C14H14N4O3 — CID 114936216

IUPAC5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Cn2ccc3cccc([N+](=O)[O-])c32)n1
InChIInChI=1S/C14H14N4O3/c1-2-4-12-15-13(21-16-12)9-17-8-7-10-5-3-6-11(14(10)17)18(19)20/h3,5-8H,2,4,9H2,1H3
InChIKeyMATFDQHWOSYCAM-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.93
Rot. Bonds5

About 5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole

5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 114936216) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID114936216
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(Cn2ccc3cccc([N+](=O)[O-])c32)n1
InChIInChI=1S/C14H14N4O3/c1-2-4-12-15-13(21-16-12)9-17-8-7-10-5-3-6-11(14(10)17)18(19)20/h3,5-8H,2,4,9H2,1H3
InChIKeyMATFDQHWOSYCAM-UHFFFAOYSA-N
XLogP2.93
TPSA86.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.93
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

5-[(6-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 116621104
1-[(3,5-dimethylphenyl)methyl]-7-nitroindole
CID 114936071
1-[(1-ethylpyrazol-4-yl)methyl]-7-nitroindole
CID 114936188
2-ethyl-4-[(7-nitroindol-1-yl)methyl]-1,3-thiazole
CID 75469975
1-[(2,6-dichlorophenyl)methyl]-7-nitroindole
CID 114936176
1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole
CID 102879264
1-(2-methylprop-2-enyl)-7-nitroindole
CID 114936103
1-[2-(1-methylpyrazol-4-yl)ethyl]-7-nitroindole
CID 103015566
1-[(5-fluoro-2-methylphenyl)methyl]-7-nitroindole
CID 105375371
potassium trifluoro-[(7-nitroindol-1-yl)methyl]boranuide
CID 114936019
1-but-3-enyl-7-nitroindole
CID 114936238
1-[(2,5-dichlorophenyl)methyl]-7-nitroindole
CID 114936220

Frequently Asked Questions

What is the IUPAC name of 5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole (CID 114936216) is 5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(Cn2ccc3cccc([N+](=O)[O-])c32)n1.
What is the InChIKey of 5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is MATFDQHWOSYCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-2-4-12-15-13(21-16-12)9-17-8-7-10-5-3-6-11(14(10)17)18(19)20/h3,5-8H,2,4,9H2,1H3.
What are the key properties of 5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole?
5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 286.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 114936216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).