2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium

C9H5FIrNO- — CID 21032976

IUPAC2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium
SMILESFc1c[c-]c(-c2ncco2)cc1.[Ir]
InChIInChI=1S/C9H5FNO.Ir/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;/h1,3-6H;/q-1;
InChIKeySVBHPTPNGMVXDR-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.28
Rot. Bonds1

About 2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium

2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium (PubChem CID 21032976) has the molecular formula C9H5FIrNO- and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium.

Molecular Properties

Compound Name2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium
PubChem CID21032976
Molecular FormulaC9H5FIrNO-
Molecular Weight354.36 g/mol
Exact Mass355.00
IUPAC Name2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium
SMILESFc1c[c-]c(-c2ncco2)cc1.[Ir]
InChIInChI=1S/C9H5FNO.Ir/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;/h1,3-6H;/q-1;
InChIKeySVBHPTPNGMVXDR-UHFFFAOYSA-N
XLogP2.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59343982
2-(2,5-difluorophenyl)-1,3-oxazole
CID 10678958
1-(4-fluorobenzene-6-id-1-yl)isoquinoline
CID 102348692
2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;iridium;pyridine-2-carboxylic acid
CID 91866468
2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)
CID 159280645
2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane
CID 23531572
2-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;iridium;pentane-2,4-diol
CID 59512721
2,4-difluoro-3-(1,3-oxazol-2-yl)aniline
CID 79773703
2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;2,2,2-trifluoroethane-1,1-diol
CID 20870829
2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;iridium;pentane-2,4-diol
CID 58756225
(4-fluorophenyl)-(1,3-oxazol-2-yl)methanone
CID 16743432
2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;2-phenylpyridine
CID 162483808

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium?
The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium (CID 21032976) is 2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium.
What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium?
The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium is Fc1c[c-]c(-c2ncco2)cc1.[Ir].
What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium?
The InChIKey is SVBHPTPNGMVXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FNO.Ir/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;/h1,3-6H;/q-1;.
What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium?
2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium has a molecular weight of 354.36 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium is sourced from PubChem (CID 21032976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).