dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth

C25H26BiCl2NO — CID 135046126

IUPACdichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth
SMILESCc1ccc([Bi](Cl)(Cl)(c2ccc(C)cc2)c2ccccc2C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C11H12NO.2C7H7.Bi.2ClH/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9;2*1-7-5-3-2-4-6-7;;;/h3-6H,8H2,1-2H3;2*3-6H,1H3;;2*1H/q;;;+2;;/p-2
InChIKeyQGIWNCAOGYQDQA-UHFFFAOYSA-L
MW636.38 g/mol
LogP4.75
Rot. Bonds4

About dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth

dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth (PubChem CID 135046126) has the molecular formula C25H26BiCl2NO and a molecular weight of 636.38 g/mol. Its IUPAC name is dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth.

Molecular Properties

Compound Namedichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth
PubChem CID135046126
Molecular FormulaC25H26BiCl2NO
Molecular Weight636.38 g/mol
Exact Mass635.12
IUPAC Namedichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth
SMILESCc1ccc([Bi](Cl)(Cl)(c2ccc(C)cc2)c2ccccc2C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C11H12NO.2C7H7.Bi.2ClH/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9;2*1-7-5-3-2-4-6-7;;;/h3-6H,8H2,1-2H3;2*3-6H,1H3;;2*1H/q;;;+2;;/p-2
InChIKeyQGIWNCAOGYQDQA-UHFFFAOYSA-L
XLogP4.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
CID 688301
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839
carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
CID 11823541
N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,4,6-trimethylaniline
CID 101437695
2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 121223809
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
CID 13047584
4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
CID 4299365
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 14197394
2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 15880000
2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 15853168
2-(2-heptan-2-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 10378605

Frequently Asked Questions

What is the IUPAC name of dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth?
The IUPAC name of dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth (CID 135046126) is dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth.
What is the SMILES notation for dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth?
The canonical SMILES for dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth is Cc1ccc([Bi](Cl)(Cl)(c2ccc(C)cc2)c2ccccc2C2=NC(C)(C)CO2)cc1.
What is the InChIKey of dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth?
The InChIKey is QGIWNCAOGYQDQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H12NO.2C7H7.Bi.2ClH/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9;2*1-7-5-3-2-4-6-7;;;/h3-6H,8H2,1-2H3;2*3-6H,1H3;;2*1H/q;;;+2;;/p-2.
What are the key properties of dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth?
dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth has a molecular weight of 636.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-bis(4-methylphenyl)bismuth is sourced from PubChem (CID 135046126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).