N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline

C22H19N5O — CID 92641131

IUPACN-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline
SMILES[H]/N=C1\O[C@@H](c2ccccc2)C(=N/Nc2ccccc2)/C1=N\Nc1ccccc1
InChIInChI=1S/C22H19N5O/c23-22-20(27-25-18-14-8-3-9-15-18)19(26-24-17-12-6-2-7-13-17)21(28-22)16-10-4-1-5-11-16/h1-15,21,23-25H/b23-22-,26-19+,27-20+/t21-/m0/s1
InChIKeyFJAMSOBELZNVFN-XVFZJMAOSA-N
MW369.43 g/mol
LogP4.67
Rot. Bonds5

About N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline

N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline (PubChem CID 92641131) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline
PubChem CID92641131
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline
SMILES[H]/N=C1\O[C@@H](c2ccccc2)C(=N/Nc2ccccc2)/C1=N\Nc1ccccc1
InChIInChI=1S/C22H19N5O/c23-22-20(27-25-18-14-8-3-9-15-18)19(26-24-17-12-6-2-7-13-17)21(28-22)16-10-4-1-5-11-16/h1-15,21,23-25H/b23-22-,26-19+,27-20+/t21-/m0/s1
InChIKeyFJAMSOBELZNVFN-XVFZJMAOSA-N
XLogP4.67
TPSA81.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(2R,4E)-5-imino-2-[4-[(2S,3Z,4Z)-5-imino-3,4-bis(phenylhydrazinylidene)oxolan-2-yl]phenyl]-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline
CID 125115562
4-[2-[4-[(4-carboxyphenyl)hydrazinylidene]-2-(furan-2-yl)-5-iminooxolan-3-ylidene]hydrazinyl]benzoic acid
CID 6821628
N-[(E)-[(2R,4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-5-imino-2-(4-nitrophenyl)oxolan-3-ylidene]amino]-2,4-dinitroaniline
CID 98535362
[[(2S,4E)-4-(carbamothioylhydrazinylidene)-5-imino-2-(4-nitrophenyl)oxolan-3-ylidene]amino]thiourea
CID 125115576
(3E,4E,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 51562676
5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 3810559
(3E,4E,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 51562675
(2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol
CID 16637680
(4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine
CID 6399293
4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide
CID 15358803
N-[(E)-[(4S,5S)-3,4,5-triphenylcyclohex-2-en-1-ylidene]amino]aniline
CID 92525930
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline?
The IUPAC name of N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline (CID 92641131) is N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline.
What is the SMILES notation for N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline?
The canonical SMILES for N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline is [H]/N=C1\O[C@@H](c2ccccc2)C(=N/Nc2ccccc2)/C1=N\Nc1ccccc1.
What is the InChIKey of N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline?
The InChIKey is FJAMSOBELZNVFN-XVFZJMAOSA-N. The full InChI is InChI=1S/C22H19N5O/c23-22-20(27-25-18-14-8-3-9-15-18)19(26-24-17-12-6-2-7-13-17)21(28-22)16-10-4-1-5-11-16/h1-15,21,23-25H/b23-22-,26-19+,27-20+/t21-/m0/s1.
What are the key properties of N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline?
N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline has a molecular weight of 369.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline is sourced from PubChem (CID 92641131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).