imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium

C15H11N7O+2 — CID 91738493

IUPACimino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium
SMILESN=[N+]=Nc1ccc(-c2cnc(-c3ccc(N=[N+]=N)cc3)o2)cc1
InChIInChI=1S/C15H11N7O/c16-21-19-12-5-1-10(2-6-12)14-9-18-15(23-14)11-3-7-13(8-4-11)20-22-17/h1-9,16-17H/q+2
InChIKeyHVAZMCGGMRNWIQ-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.37
Rot. Bonds4

About imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium

imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium (PubChem CID 91738493) has the molecular formula C15H11N7O+2 and a molecular weight of 305.30 g/mol. Its IUPAC name is imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium.

Molecular Properties

Compound Nameimino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium
PubChem CID91738493
Molecular FormulaC15H11N7O+2
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Nameimino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium
SMILESN=[N+]=Nc1ccc(-c2cnc(-c3ccc(N=[N+]=N)cc3)o2)cc1
InChIInChI=1S/C15H11N7O/c16-21-19-12-5-1-10(2-6-12)14-9-18-15(23-14)11-3-7-13(8-4-11)20-22-17/h1-9,16-17H/q+2
InChIKeyHVAZMCGGMRNWIQ-UHFFFAOYSA-N
XLogP4.37
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 5027296
5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 2798251
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol
CID 135567659
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 71327926
4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzonitrile
CID 624441
N,N-dimethyl-4-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]aniline
CID 19580278

Frequently Asked Questions

What is the IUPAC name of imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium?
The IUPAC name of imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium (CID 91738493) is imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium.
What is the SMILES notation for imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium?
The canonical SMILES for imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium is N=[N+]=Nc1ccc(-c2cnc(-c3ccc(N=[N+]=N)cc3)o2)cc1.
What is the InChIKey of imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium?
The InChIKey is HVAZMCGGMRNWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O/c16-21-19-12-5-1-10(2-6-12)14-9-18-15(23-14)11-3-7-13(8-4-11)20-22-17/h1-9,16-17H/q+2.
What are the key properties of imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium?
imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium has a molecular weight of 305.30 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium is sourced from PubChem (CID 91738493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).