(4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene

C19H19N5O3 — CID 7536166

IUPAC(4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene
SMILESCN1c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)(C)[C@@]12CC=NO2
InChIInChI=1S/C19H19N5O3/c1-18(2)16-12-14(22-21-13-4-7-15(8-5-13)24(25)26)6-9-17(16)23(3)19(18)10-11-20-27-19/h4-9,11-12H,10H2,1-3H3/b22-21+/t19-/m0/s1
InChIKeyOMQJTJLMCAGFOH-XJUMHSELSA-N
MW365.39 g/mol
LogP4.84
Rot. Bonds3

About (4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene

(4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene (PubChem CID 7536166) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is (4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene.

Molecular Properties

Compound Name(4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene
PubChem CID7536166
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name(4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene
SMILESCN1c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)(C)[C@@]12CC=NO2
InChIInChI=1S/C19H19N5O3/c1-18(2)16-12-14(22-21-13-4-7-15(8-5-13)24(25)26)6-9-17(16)23(3)19(18)10-11-20-27-19/h4-9,11-12H,10H2,1-3H3/b22-21+/t19-/m0/s1
InChIKeyOMQJTJLMCAGFOH-XJUMHSELSA-N
XLogP4.84
TPSA92.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene
CID 101076082
(4-nitrophenyl)-phenyldiazene
CID 17222
methyl-(4-nitrophenyl)diazene
CID 20760343
[3-methyl-4-(4-octylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 101069106
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 5152218
(4-nitrophenyl)-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)pyrazol-3-yl]diazene
CID 13112667
methyl 3-[5-[(4-nitrophenyl)diazenyl]-2,3-dihydroindol-1-yl]propanoate
CID 2818439
5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 177492854
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl-(4-nitrophenyl)diazene
CID 599155
2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde
CID 155663799
bis(3-nitrophenyl)diazene
CID 10858607

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene?
The IUPAC name of (4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene (CID 7536166) is (4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene.
What is the SMILES notation for (4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene?
The canonical SMILES for (4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene is CN1c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)(C)[C@@]12CC=NO2.
What is the InChIKey of (4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene?
The InChIKey is OMQJTJLMCAGFOH-XJUMHSELSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-18(2)16-12-14(22-21-13-4-7-15(8-5-13)24(25)26)6-9-17(16)23(3)19(18)10-11-20-27-19/h4-9,11-12H,10H2,1-3H3/b22-21+/t19-/m0/s1.
What are the key properties of (4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene?
(4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene has a molecular weight of 365.39 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene is sourced from PubChem (CID 7536166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).