N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine

C14H9N3OSe — CID 162403422

IUPACN-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine
SMILESc1ccc(/N=c2\[se]nc3oc4ccccc4n23)cc1
InChIInChI=1S/C14H9N3OSe/c1-2-6-10(7-3-1)15-14-17-11-8-4-5-9-12(11)18-13(17)16-19-14/h1-9H/b15-14-
InChIKeyFTYFTMAVUVTBPV-PFONDFGASA-N
MW314.21 g/mol
LogP2.37
Rot. Bonds1

About N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine

N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine (PubChem CID 162403422) has the molecular formula C14H9N3OSe and a molecular weight of 314.21 g/mol. Its IUPAC name is N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine.

Molecular Properties

Compound NameN-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine
PubChem CID162403422
Molecular FormulaC14H9N3OSe
Molecular Weight314.21 g/mol
Exact Mass314.99
IUPAC NameN-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine
SMILESc1ccc(/N=c2\[se]nc3oc4ccccc4n23)cc1
InChIInChI=1S/C14H9N3OSe/c1-2-6-10(7-3-1)15-14-17-11-8-4-5-9-12(11)18-13(17)16-19-14/h1-9H/b15-14-
InChIKeyFTYFTMAVUVTBPV-PFONDFGASA-N
XLogP2.37
TPSA42.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691075
4-oxopyrimido[2,1-b][1,3]benzoxazole-3-carbonitrile
CID 12857967
2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole
CID 59691080
1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole
CID 134409654
2-phenyl-1-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691113
10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene
CID 140947951
N,N-diphenyl-4-[2-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazol-1-yl]aniline
CID 59691150
1,2,3-benzoxadiazol-3-ium
CID 22055061
3-(benzhydrylideneamino)-1,3-benzoxazol-2-one
CID 178098709
9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 118874105
3-[bis(2-oxo-1,3-benzoxazol-3-yl)-phenylsilyl]-1,3-benzoxazol-2-one
CID 102320886
2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-one
CID 16669275

Frequently Asked Questions

What is the IUPAC name of N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine?
The IUPAC name of N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine (CID 162403422) is N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine.
What is the SMILES notation for N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine?
The canonical SMILES for N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine is c1ccc(/N=c2\[se]nc3oc4ccccc4n23)cc1.
What is the InChIKey of N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine?
The InChIKey is FTYFTMAVUVTBPV-PFONDFGASA-N. The full InChI is InChI=1S/C14H9N3OSe/c1-2-6-10(7-3-1)15-14-17-11-8-4-5-9-12(11)18-13(17)16-19-14/h1-9H/b15-14-.
What are the key properties of N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine?
N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine has a molecular weight of 314.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-[1,2,4]selenadiazolo[3,4-b][1,3]benzoxazol-1-imine is sourced from PubChem (CID 162403422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).