4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one

C21H14N4O4 — CID 10596290

IUPAC4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccccc2C12ON=C(c1ccccc1)N2c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H14N4O4/c26-20-21(17-11-4-5-12-18(17)22-20)24(15-9-6-10-16(13-15)25(27)28)19(23-29-21)14-7-2-1-3-8-14/h1-13H,(H,22,26)
InChIKeyFCFYRXPQVXLFHZ-UHFFFAOYSA-N
MW386.37 g/mol
LogP3.60
Rot. Bonds3

About 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one

4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one (PubChem CID 10596290) has the molecular formula C21H14N4O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
PubChem CID10596290
Molecular FormulaC21H14N4O4
Molecular Weight386.37 g/mol
Exact Mass386.10
IUPAC Name4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccccc2C12ON=C(c1ccccc1)N2c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H14N4O4/c26-20-21(17-11-4-5-12-18(17)22-20)24(15-9-6-10-16(13-15)25(27)28)19(23-29-21)14-7-2-1-3-8-14/h1-13H,(H,22,26)
InChIKeyFCFYRXPQVXLFHZ-UHFFFAOYSA-N
XLogP3.60
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.60
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'}

Analyze 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1',1'-dimethyl-5-(3-nitrophenyl)spiro[1H-indole-3,4'-cyclohexane]-2-one
CID 22019375
(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one
CID 7428045
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-(3-nitrophenyl)-3-phenylimidazol-2-one
CID 102084905
(3S,4S)-4-(3-nitrophenyl)-1,3-diphenylazetidin-2-one
CID 102287574
(5S,10bS)-2-(4-chlorophenyl)-9-nitrospiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
CID 6559302
5'-nitrospiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]-2'-one
CID 3921071
3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole
CID 10220993
3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-hydroxy-2-(3-nitrophenyl)isoindol-1-one
CID 69270953
5'-nitro-6-phenylspiro[11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3,6-triene-8,3'-1H-indole]-2',10-dione
CID 136961453
(2S)-3-acetyl-5-[(4-nitrophenyl)methyl]spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one
CID 7348383

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one?
The IUPAC name of 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one (CID 10596290) is 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one.
What is the SMILES notation for 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one?
The canonical SMILES for 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one is O=C1Nc2ccccc2C12ON=C(c1ccccc1)N2c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one?
The InChIKey is FCFYRXPQVXLFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O4/c26-20-21(17-11-4-5-12-18(17)22-20)24(15-9-6-10-16(13-15)25(27)28)19(23-29-21)14-7-2-1-3-8-14/h1-13H,(H,22,26).
What are the key properties of 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one?
4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one has a molecular weight of 386.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenyl)-3-phenylspiro[1,2,4-oxadiazole-5,3'-1H-indole]-2'-one is sourced from PubChem (CID 10596290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).