[1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene

C14H8ClF2N3O — CID 141476146

IUPAC[1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene
SMILESFC(F)(/N=N/c1ccc(Cl)cc1)c1nc2ccccc2o1
InChIInChI=1S/C14H8ClF2N3O/c15-9-5-7-10(8-6-9)19-20-14(16,17)13-18-11-3-1-2-4-12(11)21-13/h1-8H/b20-19+
InChIKeyBMWZERJQECFBBR-FMQUCBEESA-N
MW307.69 g/mol
LogP5.31
Rot. Bonds3

About [1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene

[1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene (PubChem CID 141476146) has the molecular formula C14H8ClF2N3O and a molecular weight of 307.69 g/mol. Its IUPAC name is [1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene.

Molecular Properties

Compound Name[1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene
PubChem CID141476146
Molecular FormulaC14H8ClF2N3O
Molecular Weight307.69 g/mol
Exact Mass307.03
IUPAC Name[1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene
SMILESFC(F)(/N=N/c1ccc(Cl)cc1)c1nc2ccccc2o1
InChIInChI=1S/C14H8ClF2N3O/c15-9-5-7-10(8-6-9)19-20-14(16,17)13-18-11-3-1-2-4-12(11)21-13/h1-8H/b20-19+
InChIKeyBMWZERJQECFBBR-FMQUCBEESA-N
XLogP5.31
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.69
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo(difluoro)methyl]-1,3-benzoxazole
CID 10681971
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole
CID 87259215
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethane-1,1-diol
CID 119082013
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone
CID 5278386
2-(3-bromo-2,4,5-trifluorophenyl)-1,3-benzoxazole
CID 139662329
2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 70835474
1,3-benzoxazol-2-yl(methyl)diazene
CID 123718607
1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol
CID 11231642
2-(2-methylpentan-2-yl)-1,3-benzoxazole
CID 139407128
2-(2,3,4-trifluorophenyl)-1,3-benzoxazole
CID 22625179
1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol
CID 150066000
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
CID 53419153

Frequently Asked Questions

What is the IUPAC name of [1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene?
The IUPAC name of [1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene (CID 141476146) is [1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene.
What is the SMILES notation for [1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene?
The canonical SMILES for [1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene is FC(F)(/N=N/c1ccc(Cl)cc1)c1nc2ccccc2o1.
What is the InChIKey of [1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene?
The InChIKey is BMWZERJQECFBBR-FMQUCBEESA-N. The full InChI is InChI=1S/C14H8ClF2N3O/c15-9-5-7-10(8-6-9)19-20-14(16,17)13-18-11-3-1-2-4-12(11)21-13/h1-8H/b20-19+.
What are the key properties of [1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene?
[1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene has a molecular weight of 307.69 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-benzoxazol-2-yl(difluoro)methyl]-(4-chlorophenyl)diazene is sourced from PubChem (CID 141476146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).